SCHEMBL14944103

SCHEMBL14944103

Cc1ccc(CCC(=O)CC#N)o1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
PKM P14618 5/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 6/20 0.43
TSHR P16473 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4138469 0.84 MAPT (0.56) POLBPKMMAPTNPC1RAB9A
SCHEMBL11339768 0.80 USP2 (0.51) POLBPKMMAPTNPC1RAB9A
SCHEMBL11800602 0.78 MAPT (0.51) POLBPKMMAPTNPC1RAB9A
SCHEMBL23735965 0.77 MAPT (0.50) POLBPKMMAPTNPC1RAB9A
SCHEMBL22328919 0.77 MAPT (0.50) POLBPKMMAPTNPC1RAB9A
SCHEMBL22110976 0.77 MAPT (0.50) POLBPKMMAPTNPC1RAB9A
SCHEMBL8806385 0.75 PKM (0.53) POLBPKMMAPTNPC1RAB9A
SCHEMBL30274855 0.74 ALOX5 (0.54) POLBPKMMAPTNPC1RAB9A
SCHEMBL6218112 0.74 PKM (0.51) POLBPKMMAPTNPC1RAB9A
SCHEMBL21174509 0.73 MAPT (0.50) POLBPKMMAPTNPC1RAB9A

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-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed