SCHEMBL8155346

SCHEMBL8155346

CCOC(=O)/C(CC(=O)O)=C(/c1ccccc1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.53
CYP19A1 P11511 2/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL8155347 1.00 PTGS2 (0.53) PTGS2CYP19A1ESR2
SCHEMBL7898767 0.92 GAA (0.48) PTGS2
SCHEMBL7898763 0.92 GAA (0.48) PTGS2
SCHEMBL7895227 0.92 PTGS2 (0.45) PTGS2CYP19A1
SCHEMBL7895226 0.92 PTGS2 (0.45) PTGS2CYP19A1
SCHEMBL7894510 0.91 CYP19A1 (0.51) PTGS2CYP19A1
SCHEMBL7894512 0.91 CYP19A1 (0.51) PTGS2CYP19A1
SCHEMBL7898678 0.91 GAA (0.46) PTGS2
SCHEMBL7898784 0.90 NHERF1 (0.47) PTGS2CYP19A1
SCHEMBL7898781 0.90 NHERF1 (0.47) PTGS2CYP19A1

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
WO-2000014082-A1 DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES LABORATORIES UPSA (FR) 2000-03-16 WO disclosed
US-5807873-A Diarylmethylidenefuran derivatives and their uses in therapeutics LABORATORIES UPSA (FR) 1998-09-15 US disclosed