SCHEMBL15949153

SCHEMBL15949153

Cc1cc(C(=O)C[C@H](c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.49
MAPT P10636 5/20 0.43
USP2 O75604 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSA P10619 1/20 0.40
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL15949155 1.00 GPBAR1 (0.49) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL15949091 0.89 RORC (0.41) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL15949129 0.89 MAPT (0.45) MAPTUSP2HTTSMN1; SMN2MEN1
SCHEMBL1389522 0.89 GPBAR1 (0.63) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL1389528 0.89 GPBAR1 (0.63) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL1389525 0.89 GPBAR1 (0.63) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL1389527 0.89 GPBAR1 (0.63) GPBAR1MAPTUSP2HTTSMN1; SMN2
SCHEMBL15949081 0.87 GPBAR1 (0.52) GPBAR1MAPTHTTALDH1A1RAB9A
SCHEMBL363560 0.87 GPBAR1 (0.52) GPBAR1MAPTHTTALDH1A1RAB9A
SCHEMBL363790 0.87 GPBAR1 (0.52) GPBAR1MAPTHTTALDH1A1RAB9A

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