SCHEMBL15948980

SCHEMBL15948980

COCCN(C)c1ccc([C@@H](CC(=O)c2ccnc(C)c2)c2ccccc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.51
CFTR P13569 1/20 0.36
NR3C2 P08235 1/20 0.36
USP1 O94782 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CTSA P10619 9/20 0.35
KDM4A O75164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL15948981 1.00 GPBAR1 (0.51) GPBAR1CFTRNR3C2USP1L3MBTL1
SCHEMBL15949065 0.90 GPBAR1 (0.53) GPBAR1NR3C2L3MBTL1CTSAKDM4A
SCHEMBL15949067 0.90 GPBAR1 (0.53) GPBAR1NR3C2L3MBTL1CTSAKDM4A
SCHEMBL15949034 0.89 GPBAR1 (0.42) GPBAR1CFTRUSP1L3MBTL1CTSA
SCHEMBL1389969 0.87 GPBAR1 (0.63) GPBAR1CFTRNR3C2USP1L3MBTL1
SCHEMBL1389971 0.87 GPBAR1 (0.63) GPBAR1CFTRNR3C2USP1L3MBTL1
SCHEMBL1389970 0.87 GPBAR1 (0.63) GPBAR1CFTRNR3C2USP1L3MBTL1
SCHEMBL1389972 0.87 GPBAR1 (0.63) GPBAR1CFTRNR3C2USP1L3MBTL1
SCHEMBL1390446 0.83 GPBAR1 (0.62) GPBAR1NR3C2CTSAMEN1KMT2A
SCHEMBL1390447 0.83 GPBAR1 (0.62) GPBAR1NR3C2CTSAMEN1KMT2A

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