SCHEMBL16118574

SCHEMBL16118574

COc1ccc(C)c(C(=O)ON)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.41

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
SCHEMBL146258 0.85 KDM4E (0.62) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL29502160 0.85 KDM4E (0.62) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL2855495 0.81 KDM4E (0.55) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL11615858 0.81 ALDH1A1 (0.46) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL3481145 0.81 HPGD (0.58) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL28025037 0.79 SMN1; SMN2 (0.51) NPC1MEN1KMT2ACYP2D6MAPT
SCHEMBL29694578 0.79 SMN1; SMN2 (0.61) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL1986986 0.79 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL11694926 0.79 SMN1; SMN2 (0.61) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL27836782 0.79 KMT2A (0.60) NPC1RAB9AMEN1KMT2ACYP1A2

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
WO-2014152013-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 WO disclosed