SCHEMBL15949240

SCHEMBL15949240

Cc1ccccc1[C@H](CC(=NO)c1cc(Cl)ncc1F)c1ccc(-c2ccc(OC(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.49
▸ CTSA P10619 12/20 0.37
▸ FFAR4 Q5NUL3 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
SCHEMBL1390187 0.89 GPBAR1 (0.63) GPBAR1CTSA
SCHEMBL363850 0.89 GPBAR1 (0.63) GPBAR1CTSA
SCHEMBL1390190 0.89 GPBAR1 (0.63) GPBAR1CTSA
SCHEMBL15949349 0.86 GPBAR1 (0.49) GPBAR1CTSA
SCHEMBL15949255 0.85 GPBAR1 (0.51) GPBAR1CTSA
SCHEMBL10241042 0.84 GPBAR1 (0.52) GPBAR1CTSA
SCHEMBL1389623 0.84 GPBAR1 (0.52) GPBAR1CTSA
SCHEMBL363807 0.84 GPBAR1 (0.52) GPBAR1CTSA
SCHEMBL15949183 0.83 GPBAR1 (0.66) GPBAR1CTSA
SCHEMBL15949285 0.82 GPBAR1 (0.56) GPBAR1CTSA

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-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP claimed
Send feedback