SCHEMBL8100571

SCHEMBL8100571

CN1CC/C(=C(\c2ccc(Cl)cc2)c2ccc(S(C)(=O)=O)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.46
MAOB P27338 1/20 0.44
PTGS1 P23219 4/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CCR2 P41597 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL8093354 1.00 PTGS2 (0.46) PTGS2MAOBPTGS1AKR1C3AKR1C2
SCHEMBL8438289 1.00 PTGS2 (0.46) PTGS2MAOBPTGS1AKR1C3AKR1C2
SCHEMBL8106460 0.88 CA1 (0.53) PTGS2MAOBPTGS1KMT2ACA12
SCHEMBL8093790 0.88 CA1 (0.53) PTGS2MAOBPTGS1KMT2ACA12
SCHEMBL8106457 0.88 CA1 (0.53) PTGS2MAOBPTGS1KMT2ACA12
SCHEMBL8092672 0.87 PTGS2 (0.43) PTGS2MAOBPTGS1KMT2A
SCHEMBL8094120 0.86 PTGS2 (0.46) PTGS2PTGS1AKR1C3AKR1C2AKR1C1
SCHEMBL8441150 0.86 PTGS2 (0.46) PTGS2PTGS1AKR1C3AKR1C2AKR1C1
SCHEMBL8441152 0.86 PTGS2 (0.46) PTGS2PTGS1AKR1C3AKR1C2AKR1C1
SCHEMBL8088351 0.84 PTGS2 (0.42) PTGS2MAOBPTGS1AKR1C3AKR1C2

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-1058682-A1 HETEROCYCLIC DIARYLMETHYLENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USES IN THERAPEUTICS LABORATOIRES UPSA (FR) 2000-12-13 EP disclosed
US-6004994-A ANTIINFLAMMATORY AGENTS, CYCLOOXYGENASE INHIBITORS AND ANALGESICS LABORATOIRES UPSA (FR) 1999-12-21 US disclosed
WO-1999043664-A1 HETEROCYCLIC DIARYLMETHYLENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USES IN THERAPEUTICS LABORATOIRES UPSA (FR) 1999-09-02 WO disclosed