SCHEMBL9003692

SCHEMBL9003692

CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc([S+](CC(=C(C#N)C#N)c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33

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
SCHEMBL9003519 0.93 PTGS2 (0.35) PTGS2
SCHEMBL8956402 0.84 NPC1 (0.38) PTGS2
SCHEMBL8756217 0.74 TSHR (0.32)
SCHEMBL4139001 0.73 CES1 (0.38) PTGS2
SCHEMBL9003389 0.72
SCHEMBL9003378 0.72 LMNA (0.41)
SCHEMBL9003650 0.72
SCHEMBL9003693 0.71 GSK3B (0.38)
SCHEMBL9003416 0.71 CES2 (0.33) PTGS2
SCHEMBL8757295 0.69

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
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed