SCHEMBL7806930

SCHEMBL7806930

CS(=O)(=O)c1ccc(/C(=C2/CCOC2=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
MAOB P27338 1/20 0.44
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
POLB P06746 1/20 0.40
PTGS1 P23219 4/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 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
SCHEMBL1079805 1.00 PTGS2 (0.46) PTGS2MAOBAKR1C3AKR1C2AKR1C1
SCHEMBL1782770 1.00 PTGS2 (0.46) PTGS2MAOBAKR1C3AKR1C2AKR1C1
SCHEMBL7813773 0.91 PTGS2 (0.42) PTGS2MAOBAKR1C3AKR1C2AKR1C1
SCHEMBL7813772 0.91 PTGS2 (0.42) PTGS2MAOBAKR1C3AKR1C2AKR1C1
SCHEMBL7802251 0.89 PTGS2 (0.48) PTGS2PTGS1ADORA3
SCHEMBL7802249 0.89 PTGS2 (0.48) PTGS2PTGS1ADORA3
SCHEMBL7887232 0.89 PTGS2 (0.48) PTGS2PTGS1ADORA3
SCHEMBL2126889 0.89 AKR1C3 (0.46) PTGS2AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL2126896 0.89 AKR1C3 (0.46) PTGS2AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL2126893 0.89 AKR1C3 (0.46) PTGS2AKR1C3AKR1C2AKR1C1PTGS1

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-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
WO-2000014082-A1 DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES LABORATORIES UPSA (FR) 2000-03-16 WO 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