SCHEMBL7822153

SCHEMBL7822153

CC(C(=O)O)c1ccccc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.44
CXCL8 P10145 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MMP16 P51512 1/20 0.44
PTGS1 P23219 6/20 0.43
KMT2A Q03164 4/20 0.42
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
FABP2 P12104 1/20 0.39

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
SCHEMBL30222272 0.86 PTGS2 (0.46) PTGS2CXCL8MMP1MMP2MMP9
SCHEMBL5983552 0.86 PTGS2 (0.46) PTGS2CXCL8MMP1MMP2MMP9
SCHEMBL5112475 0.86 PTGS2 (0.46) PTGS2CXCL8MMP1MMP2MMP9
SCHEMBL1063487 0.85 PTGS2 (0.44) PTGS2CXCL8MMP1MMP2MMP9
SCHEMBL6916097 0.84 GABRA1 (0.48) PTGS2CXCL8MMP1MMP2MMP9
SCHEMBL9119656 0.83 PTGS2 (0.49) PTGS2CXCL8MMP1MMP2MMP9
SCHEMBL1394339 0.83 PTGS2 (0.49) PTGS2CXCL8MMP1MMP2MMP9
SCHEMBL3026634 0.83 PTGS2 (0.43) PTGS2CXCL8MMP1MMP2MMP9
SCHEMBL3155111 0.83 PTGS2 (0.49) PTGS2CXCL8MMP1MMP2MMP9
SCHEMBL11669660 0.83 AKR1B1 (0.52) PTGS2CXCL8MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11315064-A None JP disclosed
CN-100383121-C Substituted benzyl ester and its preparation process and novel process for preparing substituted mopipe therefrom TIANJIN TAIPU PHARMACEUTICAL S (CN) 2008-04-23 CN disclosed
CN-1827598-A Substituted benzyl ester and its preparation process and novel process for preparing substituted mopipe therefrom TIANJIN TAIPU PHARMACEUTICAL S (CN) 2006-09-06 CN disclosed
EP-1091938-A2 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF Aventis Pharmaceuticals Inc. (US) 2001-04-18 EP disclosed
WO-2000001671-A2 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2000-01-13 WO disclosed
JP-H11315064-A PRODUCTION OF OPTICALLY ACTIVE PHENYLPROPIONIC ACID DERIVATIVE AJINOMOTO CO INC 1999-11-16 JP disclosed