SCHEMBL8993563

SCHEMBL8993563

CS(=O)(=O)c1ncc(CO)c(C2=CCCC2)c1CO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8993497 0.87 CSF1R (0.31)
SCHEMBL8993429 0.82 PTGS2 (0.30) PTGS2
SCHEMBL8993451 0.70 PTGS2 (0.39) PTGS2
SCHEMBL8993537 0.69
SCHEMBL8993449 0.68 PTGS2 (0.45) PTGS2
SCHEMBL8993514 0.67 PTGS2 (0.52) PTGS2
SCHEMBL4224165 0.59 DPP4 (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8993654 0.59 F2RL1 (0.36) ALDH1A1
SCHEMBL8993495 0.57 PIM1 (0.37) KDM4EALDH1A1
SCHEMBL8993599 0.56 PTGS2 (0.49) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed