SCHEMBL8993518

SCHEMBL8993518

Cc1ccc(S(=O)(=O)Cc2cc(S(C)(=O)=O)ccc2C2=CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS1 P23219 2/20 0.34
PSMB5 P28074 1/20 0.34
HSD11B1 P28845 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR2 O15552 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8993599 0.81 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8993514 0.81 PTGS2 (0.52) PTGS2
SCHEMBL8993504 0.72 PTGS2 (0.48) PTGS2PTGS1PSMB5
SCHEMBL8993378 0.71 ALDH1A1 (0.46) PTGS2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL4432809 0.70 LMNA (0.50) PTGS2RAB9ATSHRHSD17B10GAA
SCHEMBL23361312 0.70 PTGS2 (0.58) PTGS2PSMB5FFAR2
SCHEMBL29826462 0.70 PTGS2 (0.58) PTGS2PSMB5FFAR2
SCHEMBL6239381 0.68 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6239385 0.68 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL17202468 0.68 PTGS2 (0.46) PTGS2MEN1RAB9AKMT2AALDH1A1

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