SCHEMBL8474672

SCHEMBL8474672

CCCc1[c]nc(OC)c(-c2ccc(C)cc2)c1-c1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 1/20 0.32
GCGR P47871 1/20 0.32
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8475225 0.88 MAPT (0.44) NPC1RAB9AKDM4EMAPTGAA
SCHEMBL8477183 0.87 MAPT (0.36) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL8474965 0.81 ALDH1A1 (0.37) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL8480185 0.79 HEXA (0.42) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL8478757 0.77 MAPT (0.44) NPC1RAB9AKMT2AMAPTGAA
SCHEMBL8474655 0.76 HEXA (0.42) NPC1RAB9AALDH1A1HSD17B10MAPT
SCHEMBL8478542 0.75 PTGS2 (0.47) KMT2AMAPTGAAHEXAHEXB
SCHEMBL8474322 0.74 MAPT (0.37) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL8480049 0.73 PDE4B (0.36) NPC1RAB9AHSD17B10KMT2AMAPT
SCHEMBL8474614 0.72 HEXA (0.46) NPC1RAB9AKDM4EMAPTGAA

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
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed