SCHEMBL10654480

SCHEMBL10654480

CC=CC(=O)OCC(C(=O)O)c1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.57
PTGS1 P23219 5/20 0.57
AKR1C3 P42330 4/20 0.57
AKR1C2 P52895 3/20 0.57
GLO1 Q04760 2/20 0.57
HIF1A Q16665 2/20 0.57
PPARG P37231 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
PTGES O14684 1/20 0.57
ABCC3 O15438 1/20 0.57
ABCC4 O15439 1/20 0.57
ABCB11 O95342 1/20 0.57
MT-CO2 P00403 1/20 0.57
LMNA P02545 1/20 0.57
ALB P02768 1/20 0.57
CYP1A2 P05177 1/20 0.57
ABCB1 P08183 1/20 0.57
ALOX5 P09917 1/20 0.57
ADORA3 P0DMS8 1/20 0.57

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
SCHEMBL10654475 1.00 PTGS2 (0.57) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL10651936 0.92 PTGS2 (0.54) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL10651945 0.92 PTGS2 (0.54) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL10654094 0.90 PTGS2 (0.57) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL10655246 0.87 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL10655227 0.87 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL10651074 0.86 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL15658049 0.86 PTGS2 (0.66) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL6458883 0.85 PTGS2 (0.65) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL8430489 0.84 PTGS2 (0.67) PTGS2PTGS1AKR1C3AKR1C2GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0132814-B1 ESTER DERIVATIVE OF SUBSTITUTED ACETIC ACID AND PREPARING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1988-12-21 EP claimed
EP-0132814-A1 Ester derivative of substituted acetic acid and preparing the same Kaken Pharmaceutical Co., Ltd. (JP) 1985-02-13 EP claimed
EP-0132814-B1 ESTER DERIVATIVE OF SUBSTITUTED ACETIC ACID AND PREPARING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1988-12-21 EP disclosed
US-4603217-A ANTIINFLAMMATORY AGENTS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1986-07-29 US disclosed
EP-0132814-A1 Ester derivative of substituted acetic acid and preparing the same Kaken Pharmaceutical Co., Ltd. (JP) 1985-02-13 EP disclosed