SCHEMBL7808787

SCHEMBL7808787

Cc1cccc(/C(=C2/CCOC2=O)c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PTGS2 P35354 7/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGS1 P23219 1/20 0.36
MAOB P27338 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
SCHEMBL7808789 1.00 KMT2A (0.38) KMT2ACTNNB1WNT3AIDO1ALDH1A1
SCHEMBL8487400 0.89 CA1 (0.46) KMT2ACTNNB1WNT3AALDH1A1MAPT
SCHEMBL7814060 0.89 CA1 (0.46) KMT2ACTNNB1WNT3AALDH1A1MAPT
SCHEMBL7807198 0.89 PTGS2 (0.47) PTGS2NPC1RAB9APTGS1
SCHEMBL7807200 0.89 PTGS2 (0.47) PTGS2NPC1RAB9APTGS1
SCHEMBL7887232 0.87 PTGS2 (0.48) ALDH1A1PTGS2PTGS1
SCHEMBL7802249 0.87 PTGS2 (0.48) ALDH1A1PTGS2PTGS1
SCHEMBL7802251 0.87 PTGS2 (0.48) ALDH1A1PTGS2PTGS1
SCHEMBL2126889 0.87 AKR1C3 (0.46) KMT2AALDH1A1MAPTPTGS2PTGS1
SCHEMBL7810541 0.87 PTGS2 (0.47) CTNNB1WNT3APTGS2PTGS1

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-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