SCHEMBL7802222

SCHEMBL7802222

COc1ccc(/C(=C2/CCOC2=O)c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.48
PTGS1 P23219 2/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL7802227 1.00 PTGS2 (0.48) PTGS2PTGS1ALDH1A1LMNAGAA
SCHEMBL7814024 0.90 PTGS2 (0.49) PTGS2PTGS1ALDH1A1LMNAGAA
SCHEMBL7814018 0.90 PTGS2 (0.49) PTGS2PTGS1ALDH1A1LMNAGAA
SCHEMBL7811301 0.88 PTGS2 (0.43) PTGS2PTGS1ALDH1A1LMNAGAA
SCHEMBL7802244 0.88 PTGS2 (0.43) PTGS2PTGS1ALDH1A1LMNAGAA
SCHEMBL7806923 0.88 PTGS2 (0.43) PTGS2PTGS1ALDH1A1LMNAGAA
SCHEMBL7808801 0.84 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7808799 0.84 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7806930 0.82 PTGS2 (0.46) PTGS2PTGS1MAOB
SCHEMBL1782770 0.82 PTGS2 (0.46) PTGS2PTGS1MAOB

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 3 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