SCHEMBL9529778

SCHEMBL9529778

COc1ccc2cc(C(=O)[C@@H](C)Br)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
CYP1A2 P05177 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PTGS2 P35354 4/20 0.51
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
PTGS1 P23219 2/20 0.51
TSHR P16473 2/20 0.51
CDC42 P60953 1/20 0.51
RAC1 P63000 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
CYP2C9 P11712 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PLAU P00749 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL9044944 1.00 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL9592161 1.00 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL16346363 0.86 KDM4E (0.66) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL10415359 0.85 ALDH1A1 (0.49) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL9593388 0.85 KDM4E (0.64) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL9196872 0.85 KDM4E (0.64) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL585274 0.84 ALDH1A1 (0.66) CYP1A2ALDH1A1MEN1KMT2ALMNA
SCHEMBL10710104 0.84 ALDH1A1 (0.48) KDM4ECYP1A2ALDH1A1HSD17B10CYP2C9
SCHEMBL9046301 0.83 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL9592745 0.83 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2262533-A None JP disclosed
EP-0273316-B1 STEREOCONVERGENT PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS ZAMBON S.p.A. (IT) 1993-07-28 EP disclosed
US-5210258-A Optically active alpha-naththylalkyl ketones SYNTEX PHARMACEUTICALS INTERNATIONAL LTD. (BM) 1993-05-11 US disclosed
US-5084569-A TRIOXY BICYCLIC COMPOUNDS USEFUL FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS ZAMBON SPA (IT) 1992-01-28 US disclosed
JP-H02262533-A OPTICALLY ACTIVE KETONE SYNTEX PHARMCEUT INTERNATL LTD 1990-10-25 JP disclosed
US-4922009-A Stereoconvergent process for preparing optically active carboxylic acids ZAMBON SPA (IT) 1990-05-01 US disclosed
US-4912254-A Preparation of α-arylalkanoic acids SYNTEX PHARMACEUTICAL INTERNATIONAL LIMITED (BM) 1990-03-27 US disclosed
EP-0081993-B1 OPTICALLY ACTIVE ALPHA-SUBSTITUTED ARYL KETONES, THEIR PREPARATION AND THEIR USE IN PREPARING ALPHA-ARYLALKANOIC ACIDS SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1988-08-17 EP disclosed
EP-0273316-A2 Stereoconvergent process for preparing optically active carboxylic acids ZAMBON S.p.A. (IT) 1988-07-06 EP disclosed
US-4749804-A Preparation of stereoisomers of ketals SYNTEX (U.S.A.) INC. (US) 1988-06-07 US disclosed
US-4605758-A Preparation of α-arylalkanoic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LTD. (BM) 1986-08-12 US disclosed
EP-0081993-A2 Optically active alpha-substituted aryl ketones, their preparation and their use in preparing alpha-arylalkanoic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1983-06-22 EP disclosed