SCHEMBL3224035

SCHEMBL3224035

CCC(C)OC(=O)C(=Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
HTT P42858 1/20 0.46
TP53 P04637 2/20 0.44
NR1H4 Q96RI1 1/20 0.43
MAPT P10636 5/20 0.43
AKR1C3 P42330 1/20 0.42
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1I2 O75469 1/20 0.39
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL8577901 0.92 TP53 (0.58) MEN1KMT2AHTTTP53NR1H4
SCHEMBL435678 0.88 KDM4E (0.46) MEN1KMT2ATP53NR1H4MAPT
SCHEMBL10772305 0.88 KDM4E (0.45) MEN1KMT2AHTTTP53NR1H4
SCHEMBL3218589 0.87 MEN1 (0.55) MEN1KMT2AHTTTP53MAPT
SCHEMBL1673522 0.87 KMT2A (0.55) MEN1KMT2AHTTTP53MAPT
SCHEMBL11815879 0.87 GRIK1 (0.42) MEN1KMT2AHTTTP53MAPT
SCHEMBL11812910 0.86 MEN1 (0.44) MEN1KMT2AHTTTP53NR1H4
SCHEMBL1332953 0.86 TAS1R3 (0.42) MEN1KMT2ANR1H4MAPTAKR1C3
SCHEMBL11823604 0.85 PTGS2 (0.43) MEN1KMT2ATP53MAPTAKR1C3
SCHEMBL6233438 0.85 KMT2A (0.45) MEN1KMT2AMAPTLMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566109-A Method for synthesizing carbenicillin sodium pharmaceutical intermediate diethyl(phenylmethylene)malonate CHENGDU QIANYE LONGHUA PETROLEUM ENG TECH CONSULTING CO LTD 2016-05-11 CN claimed
CN-100509783-C Pheny(alkyl)carboxylic acid derivatives and dionic phenylalkylheterocyclic derivatives and their use as medicines with serum glucose and/or serum lipid lowering activity SIGMA TAU IND FARMACEUTI (IT) 2009-07-08 CN claimed
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN claimed
CN-1617854-A Pheny(alkyl)carboxylic acid derivatives and dionic phenylalkylheterocyclic derivatives and their use as medicines with serum glucose and/or serum lipid lowering activity SIGMA TAU IND FARMACEUTI (IT) 2005-05-18 CN claimed
US-3951990-A CORONARY AGENTS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US claimed
CN-115397520-A Oil-in-water type emulsion cosmetic 花王株式会社 2022-11-25 CN disclosed
CN-104640886-B The manufacture method of manufacture method for the ingredient of solid catalyst of olefin polymerization, the catalyst for olefin polymerization and olefin polymerization 东邦钛株式会社 2018-04-27 CN disclosed
CN-105566109-A Method for synthesizing carbenicillin sodium pharmaceutical intermediate diethyl(phenylmethylene)malonate CHENGDU QIANYE LONGHUA PETROLEUM ENG TECH CONSULTING CO LTD 2016-05-11 CN disclosed
CN-103764689-B The manufacture method of solid catalyst component for olefin polymerization, polymerization of olefines catalyzer and olefin polymer TOHO TITANIUM CO.,LTD. (JP) 2016-03-30 CN disclosed
CN-105008407-A Process for producing propylene block copolymer TOHO TITANIUM CO LTD 2015-10-28 CN disclosed
CN-104822712-A Solid catalyst component for polymerizing olefin, catalyst for polymerizing olefin, and method for producing polymerized olefin TOHO TITANIUM CO LTD 2015-08-05 CN disclosed
CN-104744252-A Method for catalyzing condensation reaction between aromatic aldehyde and malonic diester with bionic water-containing heterogeneous catalytic system UNIV TIANJIN TECHNOLOGY 2015-07-01 CN disclosed
US-4261988-A ANTICHOLESTEROL AGENTS USED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed
US-4001259-A 3,6-DIAMINO-3,4-DIHYDRO-2-PYRIDONES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3987176-A COMPOSITION AND USE OF 3,4-DIHYDROPYRIDONES AS VASODILATORS AND ANTIHYPERTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-19 US disclosed
US-3981882-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 US disclosed
US-3951990-A CORONARY AGENTS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951991-A CORONARY AGENTS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951992-A CORONARY, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3935222-A CNS DEPRESSANT, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-01-27 US disclosed