SCHEMBL627031

SCHEMBL627031

C=CCc1ccc(OCC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
TSHR P16473 2/20 0.64
ALDH1A1 P00352 2/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
ALOX15 P16050 1/20 0.64
ALOX12 P18054 1/20 0.64
NQO1 P15559 1/20 0.58
TDP1 Q9NUW8 1/20 0.48
RELA Q04206 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
LTA4H P09960 2/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL7166779 0.98 SMN1; SMN2 (0.62) SMN1; SMN2TSHRALDH1A1TP53CYP3A4
Acetic Acid SCHEMBL23728283 0.89 SMN1; SMN2 (0.53) SMN1; SMN2TSHRALDH1A1TP53CYP3A4
SCHEMBL8072799 0.84 TSHR (0.60) SMN1; SMN2TSHRALDH1A1TP53CYP3A4
SCHEMBL8077529 0.84 SMN1; SMN2 (0.60) SMN1; SMN2TSHRALDH1A1TP53CYP3A4
SCHEMBL26810442 0.83 ALDH1A1 (0.63) SMN1; SMN2TSHRALDH1A1TP53CYP3A4
SCHEMBL9811776 0.82 ALDH1A1 (0.53) SMN1; SMN2TSHRALDH1A1TP53CYP3A4
SCHEMBL7782792 0.81 ALDH1A1 (0.61) SMN1; SMN2TSHRALDH1A1TP53CYP3A4
SCHEMBL2097590 0.81 ALDH1A1 (0.61) SMN1; SMN2TSHRALDH1A1TP53CYP3A4
SCHEMBL9253733 0.81 NQO1 (0.61) SMN1; SMN2TSHRALDH1A1NQO1TDP1
SCHEMBL2559226 0.81 NQO1 (0.61) SMN1; SMN2TSHRALDH1A1NQO1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405882-B1 INK JET RECORDING INK SET RICOH KK (JP) 2007-11-21 EP claimed
JP-6080993-A None JP disclosed
JP-11255754-A None JP disclosed
CN-117777711-A Method for producing resin molded body and resin composition 旭化成株式会社 2024-03-29 CN disclosed
CN-117700819-A Hydrophilic ultra-high molecular weight plastic porous sheet and method for producing same 日东电工株式会社 2024-03-15 CN disclosed
CN-117615650-A Method for preventing deformation of pesticide container made of resin 石原产业株式会社 2024-02-27 CN disclosed
CN-111971491-B Gear containing cellulose 旭化成株式会社 2024-01-16 CN disclosed
WO-2023163048-A1 IMMOBILIZED CATALYST, PRODUCTION METHOD FOR IMMOBILIZED CATALYST, PRODUCTION METHOD FOR FORMATE, AND PRODUCTION METHOD FOR FORMIC ACID 日東電工株式会社 2023-08-31 WO disclosed
CN-112004863-B Aqueous dispersion of cellulose nanofibers 旭化成株式会社 2023-07-14 CN disclosed
CN-116322951-A Compounds, compositions and polymeric films 富士胶片制造欧洲有限公司 2023-06-23 CN disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0774498-A1 AQUEOUS FLUOROPOLYMER DISPERSION DAIKIN INDUSTRIES, LIMITED (JP) 1997-05-21 EP disclosed
US-5615613-A Method of using a hemicellulose printing assistant for lithographic printing plates FUJI OIL CO., LTD. (JP) 1997-04-01 US disclosed
WO-1995029019-A1 METHOD FOR CLEANING METAL SURFACES HENKEL CORPORATION (US) 1995-11-02 WO disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed
EP-0620125-A1 ASSISTANT FOR PRINTING FUJI OIL COMPANY, LIMITED (JP) 1994-10-19 EP disclosed
JP-H0680993-A NEUTRAL DETERGENT ASAHI CHEM IND CO LTD 1994-03-22 JP disclosed
EP-0378167-A1 Disperse dye composition useful for dyeing or printing hydrophobic fiber materials SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-07-18 EP disclosed
EP-0350069-A2 Method for oxidizing unsaturated aromatic compounds NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-01-10 EP disclosed
US-4010281-A N-(4-HALOBENZYL)-N-BRANCHED ALKYL-N'-PHENYLUREAS AND FUNGICIDAL USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-03-01 US disclosed