SCHEMBL7813772

SCHEMBL7813772

CS(=O)(=O)c1ccc(/C(=C2\CCOC2=O)c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.42
PTGS1 P23219 6/20 0.42
AKR1C3 P42330 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL7813773 1.00 PTGS2 (0.42) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL1782770 0.91 PTGS2 (0.46) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL7806930 0.91 PTGS2 (0.46) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL1079805 0.91 PTGS2 (0.46) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL2126889 0.90 AKR1C3 (0.46) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL2126893 0.90 AKR1C3 (0.46) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL2126896 0.90 AKR1C3 (0.46) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL7802143 0.88 CA2 (0.43) PTGS2PTGS1MAOB
SCHEMBL7802138 0.88 CA2 (0.43) PTGS2PTGS1MAOB
SCHEMBL7811301 0.86 PTGS2 (0.43) PTGS2PTGS1AKR1C3ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891345-B1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF UNION PHARMA SCIENT APPL (FR) 2001-08-16 EP disclosed
US-6180651-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS BRISTOL-MYERS SQUIBB 2001-01-30 US disclosed
EP-0891345-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-01-20 EP disclosed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 WO disclosed