SCHEMBL9839153

SCHEMBL9839153

NC(=O)CC(c1cccc(C(F)(F)F)c1)c1nccs1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSA P10619 19/20 0.62
FFAR1 O14842 1/20 0.50

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
SCHEMBL1458949 0.82 CTSA (0.61) CTSA
SCHEMBL17284299 0.77 CTSA (1.00) CTSA
SCHEMBL18813430 0.74 CTSA (1.00) CTSA
SCHEMBL18813408 0.74 CTSA (1.00) CTSA
SCHEMBL11081195 0.74 PNMT (0.55)
SCHEMBL1419364 0.73 PNMT (0.67)
SCHEMBL17284337 0.73 CTSA (1.00) CTSA
SCHEMBL17284324 0.72 CTSA (1.00) CTSA
SCHEMBL16108414 0.72 CTSA (0.73) CTSA
SCHEMBL22630847 0.72 AURKA (0.59)

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-4988708-A 3-Carbamoyl-4-hydroxy-2-carboxylmethyl quinoline analgesics, antiinflammatory agents ROUSSEL UCLAF (FR) 1991-01-29 US disclosed