SCHEMBL3836047

SCHEMBL3836047

CS(=O)(=O)c1ccc(C2=C(c3ccc4c(c3)OCO4)C(=O)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.71
PTGS1 P23219 13/20 0.62

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
SCHEMBL8654540 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3822946 0.81 PTGS2 (0.87) PTGS2PTGS1
SCHEMBL6101739 0.78 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL3825490 0.78 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8383818 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4575404 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3820828 0.76 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL3828986 0.76 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL3825944 0.76 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL3824993 0.76 PTGS2 (0.72) PTGS2PTGS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758852-B1 SUBSTITUTED CYCLOPENTENE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-09-02 EP disclosed