SCHEMBL9455202

SCHEMBL9455202

CC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.[Ca+2].[Ca+2]

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR known ✓ P04035 4/20 0.48
GABBR2 known ✓ O75899 1/20 0.47
GABBR1 known ✓ Q9UBS5 1/20 0.47
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
GAA P10253 3/20 0.58
ALDH1A1 P00352 6/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
BLM P54132 2/20 0.49
ATM Q13315 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
CYP2D6 P10635 1/20 0.49
NR1I2 O75469 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1567923 1.00 MEN1 (0.58) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL30216005 0.96 MEN1 (0.58) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL11438934 0.96 MEN1 (0.58) MEN1KMT2AGAAALDH1A1TSHR
Zinc Ion SCHEMBL9419681 0.96 MEN1 (0.58) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL31688385 0.96 MEN1 (0.58) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL914945 0.96 MEN1 (0.58) MEN1KMT2AGAAALDH1A1TSHR
Alcohol SCHEMBL28615118 0.92 KMT2A (0.54) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL2719829 0.85 KMT2A (0.54) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL5433354 0.83 MEN1 (0.52) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL1419607 0.82 HMGCR (0.52) MEN1KMT2AGAAALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229597-A Nucleating agent composition for polyoxymethylene, polyoxymethylene composition and preparation method 开滦(集团)有限责任公司 2023-12-15 CN claimed
CN-110352223-B Coating composition with covalently bound UV absorber 巴斯夫欧洲公司 2022-08-02 CN claimed
CN-114437264-A Low-VOC low-odor polypropylene resin and preparation method and application thereof 中国石油化工股份有限公司 2022-05-06 CN claimed
US-20250059410-A1 PRESSURE SENSITIVE ADHESIVE CONTAINING LIQUID RESIN COMPRISING AN OLIGOESTER COMPOSITION HENKEL AG & CO. KGAA (DE) 2025-02-20 US disclosed
CN-119144243-A Surface protective film 日东电工株式会社 2024-12-17 CN disclosed
CN-119013346-A Thermoplastic elastomer composition for multilayer molding, multilayer molded body, and method for producing multilayer molded body 旭化成株式会社 2024-11-22 CN disclosed
CN-118946644-A Pressure-sensitive adhesive sheet for optical use 日东电工株式会社 2024-11-12 CN disclosed
CN-118906612-A White regenerated PETG heat-shrinkable film and preparation method thereof 河南银金达新材料股份有限公司 2024-11-08 CN disclosed
CN-118891972-A Optical laminate for OLED display device 日东电工株式会社 2024-11-01 CN disclosed
CN-118871542-A Pressure-sensitive adhesive sheet for optical use 日东电工株式会社 2024-10-29 CN disclosed
CN-118871293-A Multilayer structure 三菱化学株式会社 2024-10-29 CN disclosed
CN-115461381-A Acid group-containing (meth) acrylate resin, curable resin composition, insulating material, resin material for solder resist, and resist member DIC株式会社 2022-12-09 CN disclosed
CN-115335463-A Resin composition, method for producing resin composition, molded body, multilayer structure, and package 三菱化学株式会社 2022-11-11 CN disclosed
CN-115038753-A Composition, curable composition, cured product and storage method 株式会社钟化 2022-09-09 CN disclosed
CN-111205446-B High-temperature-resistant organic amine modified polyester resin and preparation method and application thereof 衡阳山泰化工有限公司 2022-08-19 CN disclosed
CN-114921047-A Elastic rubber composition and preparation method thereof 李焱明 2022-08-19 CN disclosed
CN-110352223-B Coating composition with covalently bound UV absorber 巴斯夫欧洲公司 2022-08-02 CN disclosed
CN-108473745-B Ethylene-vinyl alcohol copolymer composition pellet and method for producing ethylene-vinyl alcohol copolymer composition pellet 三菱化学株式会社 2022-07-08 CN disclosed
CN-114437264-A Low-VOC low-odor polypropylene resin and preparation method and application thereof 中国石油化工股份有限公司 2022-05-06 CN disclosed
US-5238767-A Modified polypropylene or polyolefin; high offset temperature SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-24 US disclosed