SCHEMBL7895227

SCHEMBL7895227

CCOC(=O)C(CC(=O)O)=C(c1ccc(S(C)(=O)=O)cc1)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.45
KMT2A Q03164 2/20 0.43
CYP19A1 P11511 2/20 0.40

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
SCHEMBL7895226 1.00 PTGS2 (0.45) PTGS2KMT2ACYP19A1
SCHEMBL8155346 0.92 PTGS2 (0.53) PTGS2CYP19A1
SCHEMBL8155347 0.92 PTGS2 (0.53) PTGS2CYP19A1
SCHEMBL7894512 0.90 CYP19A1 (0.51) PTGS2CYP19A1
SCHEMBL7894510 0.90 CYP19A1 (0.51) PTGS2CYP19A1
SCHEMBL7898767 0.89 GAA (0.48) PTGS2KMT2A
SCHEMBL7898763 0.89 GAA (0.48) PTGS2KMT2A
SCHEMBL7898845 0.89 AKR1C3 (0.47) PTGS2CYP19A1
SCHEMBL7894390 0.89 AKR1C3 (0.45) PTGS2
SCHEMBL7894395 0.89 AKR1C3 (0.45) PTGS2

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
US-6180651-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS BRISTOL-MYERS SQUIBB 2001-01-30 US disclosed
US-5807873-A Diarylmethylidenefuran derivatives and their uses in therapeutics LABORATORIES UPSA (FR) 1998-09-15 US disclosed