SCHEMBL7811301

SCHEMBL7811301

CS(=O)(=O)c1ccc(/C(=C2/CCOC2=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS1 P23219 4/20 0.41
AKR1C3 P42330 1/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
HSD11B1 P28845 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7802244 1.00 PTGS2 (0.43) PTGS2MEN1ALDH1A1KMT2APTGS1
SCHEMBL7806923 1.00 PTGS2 (0.43) PTGS2MEN1ALDH1A1KMT2APTGS1
SCHEMBL7808801 0.90 PTGS2 (0.46) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL7808799 0.90 PTGS2 (0.46) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL7802222 0.88 PTGS2 (0.48) PTGS2ALDH1A1PTGS1LMNAMAOB
SCHEMBL7802227 0.88 PTGS2 (0.48) PTGS2ALDH1A1PTGS1LMNAMAOB
SCHEMBL1782770 0.87 PTGS2 (0.46) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL1079805 0.87 PTGS2 (0.46) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL7806930 0.87 PTGS2 (0.46) PTGS2PTGS1AKR1C3ADORA3ADORA2A
SCHEMBL2126896 0.87 AKR1C3 (0.46) PTGS2MEN1ALDH1A1KMT2APTGS1

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