SCHEMBL6098309

SCHEMBL6098309

O=C(O)CC(NC(=O)c1cccc(-c2ccc(OC(F)(F)F)cc2)n1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.75
CTSA P10619 18/20 0.61
MMP12 P39900 1/20 0.55

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
SCHEMBL5926428 0.88 CTSA (0.66) SUCNR1CTSA
SCHEMBL5926359 0.87 CTSA (0.75) CTSA
SCHEMBL26264461 0.86 SUCNR1 (1.00) SUCNR1CTSA
SCHEMBL5927099 0.83 CTSA (0.69) CTSA
SCHEMBL3995775 0.83 MMP12 (0.62) SUCNR1CTSAMMP12
SCHEMBL6098304 0.83 SUCNR1 (0.76) SUCNR1CTSA
SCHEMBL5927057 0.83 CTSA (0.65) CTSA
SCHEMBL5926442 0.80 CTSA (0.64) CTSA
SCHEMBL26263285 0.80 SUCNR1 (0.81) SUCNR1CTSA
SCHEMBL5926846 0.79 CTSA (0.76) CTSA

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-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed