SCHEMBL14396353

SCHEMBL14396353

C[C@H](N)c1cccc(C[C@H](C)NC(=O)OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.50
ACHE P22303 4/20 0.50
ATM Q13315 2/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CTRB1 P17538 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PPARG P37231 1/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
CTSK P43235 1/20 0.46

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
SCHEMBL14396307 0.89 BCHE (0.51) BCHEACHEATMCTSLCTSS
SCHEMBL14396308 0.89 BCHE (0.51) BCHEACHEATMCTSLCTSS
SCHEMBL4033719 0.84 NPC1 (0.65) ATMCTSLCTSSCTRB1NPC1
SCHEMBL13534727 0.84 NPC1 (0.65) ATMCTSLCTSSCTRB1NPC1
SCHEMBL5914431 0.83 NPC1 (0.51) BCHEACHENPC1RAB9A
SCHEMBL5914427 0.83 NPC1 (0.51) BCHEACHENPC1RAB9A
SCHEMBL5948117 0.83 NPC1 (0.51) BCHEACHENPC1RAB9A
SCHEMBL4001568 0.83 NPC1 (0.51) BCHEACHENPC1RAB9A
SCHEMBL2985968 0.82 ALDH1A1 (0.52) ATMCTSLCTSSCTRB1NPC1
SCHEMBL5263402 0.82 SIGMAR1 (0.51) ATMCTSLCTSSCTRB1NPC1

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-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 WO disclosed