SCHEMBL15949255

SCHEMBL15949255

Cc1cnc(F)cc1C(CC(c1ccc(-c2ccc(OC(=O)O)cc2)cc1)c1ccccc1C)=NO

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.51
CTSA P10619 12/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL15949349 0.92 GPBAR1 (0.49) GPBAR1CTSAALDH1A1MAPT
SCHEMBL362239 0.88 GPBAR1 (0.66) GPBAR1CTSA
SCHEMBL362238 0.88 GPBAR1 (0.66) GPBAR1CTSA
SCHEMBL15949240 0.85 GPBAR1 (0.49) GPBAR1CTSA
SCHEMBL10241041 0.83 GPBAR1 (0.54) GPBAR1CTSA
SCHEMBL362889 0.83 GPBAR1 (0.54) GPBAR1CTSA
SCHEMBL1390297 0.83 GPBAR1 (0.54) GPBAR1CTSA
SCHEMBL15949100 0.81 GPBAR1 (0.63) GPBAR1CTSAMEN1KMT2ATDP1
SCHEMBL1390249 0.80 GPBAR1 (0.63) GPBAR1CTSA
SCHEMBL361773 0.80 GPBAR1 (0.63) 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