SCHEMBL3156003

SCHEMBL3156003

CC(C)(C)c1ccc(N2CC(C(=O)O)CC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA4 P22748 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
CA14 Q9ULX7 3/20 0.60
CA5B Q9Y2D0 3/20 0.60
CA6 P23280 2/20 0.60
RECQL P46063 1/20 0.58
TSHR P16473 2/20 0.58
POLB P06746 2/20 0.58
GRK2 P25098 1/20 0.54
KMT2A Q03164 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
CA13 Q8N1Q1 2/20 0.50

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
SCHEMBL6266011 0.92 CA12 (0.53) CA12CA1CA2CA4CA7
SCHEMBL20676025 0.87 CA12 (0.74) CA12CA1CA2CA4CA7
SCHEMBL6268227 0.85 CA1 (0.65) CA12CA1CA2CA4CA7
SCHEMBL19793291 0.83 RECQL (0.72) CA12CA1CA2CA4CA7
SCHEMBL2636575 0.83 RECQL (0.72) CA12CA1CA2CA4CA7
SCHEMBL17967205 0.83 RECQL (0.72) CA12CA1CA2CA4CA7
SCHEMBL3365962 0.81 CA12 (0.67) CA12CA1CA2CA4CA7
SCHEMBL3367424 0.81 CA12 (0.67) CA12CA1CA2CA4CA7
SCHEMBL1776720 0.81 CA12 (0.67) CA12CA1CA2CA4CA7
SCHEMBL892508 0.81 CA12 (0.66) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391597-B1 GENERATING PREFERENTIAL CARBOXYLIC ACID COMPOUND; OBTAIN PREFERENTIAL ESTER, INCUBATE HYDROLASE, RECOVER PREFERENTIAL COMPOUND NAGASE & COMPANY, LTD. (JP) 2002-05-21 US claimed
JP-11113594-A None JP disclosed
JP-11113594-A None JP disclosed
JP-6192221-A None JP disclosed
EP-1408107-B1 Chlorohydrin and hydroxycarboxylic ester asymmetric hydrolase gene DAISO CO LTD (JP) 2010-03-24 EP disclosed
EP-1000620-B1 Lp(a)-LOWERING AGENTS AND APOPROTEIN (a) PRODUCTION INHIBITORS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-12-07 EP disclosed
US-6391597-B1 GENERATING PREFERENTIAL CARBOXYLIC ACID COMPOUND; OBTAIN PREFERENTIAL ESTER, INCUBATE HYDROLASE, RECOVER PREFERENTIAL COMPOUND NAGASE & COMPANY, LTD. (JP) 2002-05-21 US disclosed
US-6391597-B1 GENERATING PREFERENTIAL CARBOXYLIC ACID COMPOUND; OBTAIN PREFERENTIAL ESTER, INCUBATE HYDROLASE, RECOVER PREFERENTIAL COMPOUND NAGASE & COMPANY, LTD. (JP) 2002-05-21 US disclosed
US-6391597-B1 GENERATING PREFERENTIAL CARBOXYLIC ACID COMPOUND; OBTAIN PREFERENTIAL ESTER, INCUBATE HYDROLASE, RECOVER PREFERENTIAL COMPOUND NAGASE & COMPANY, LTD. (JP) 2002-05-21 US disclosed
US-6166036-A Lp(a)-lowering agent and apolipoprotein (a) formation suppressing agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-1000620-A1 Lp(a)-LOWERING AGENTS AND APOPROTEIN (a) PRODUCTION INHIBTORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-05-17 EP disclosed
JP-H11113594-A PRODUCTION OF OPTICALLY ACTIVE 1-(4-TERT-BUTYLPHENYL)-5-OXO-3-PYRROLIDINECARBOXYLIC ACID AND/OR ENANTIOMER ESTER THEREOF TAIHO YAKUHIN KOGYO KK 1999-04-27 JP disclosed
JP-H11113594-A PRODUCTION OF OPTICALLY ACTIVE 1-(4-TERT-BUTYLPHENYL)-5-OXO-3-PYRROLIDINECARBOXYLIC ACID AND/OR ENANTIOMER ESTER THEREOF TAIHO YAKUHIN KOGYO KK 1999-04-27 JP disclosed
EP-0393607-B1 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMA CO LTD (JP) 1996-02-21 EP disclosed
JP-H06192221-A PRODUCTION OF OPTICALLY ACTIVE 1-@(3754/24)4-T.-BUTYLPHENYL)-5-OXO-3-PYRROLIDINECARBOXYLIC ACID TAIHO YAKUHIN KOGYO KK 1994-07-12 JP disclosed
US-5145865-A Fatty acid, cholesterol synthesis inhibitors; enzyme inhibitors; antilipemic agents OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1992-09-08 US disclosed
EP-0393607-A2 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 EP disclosed