SCHEMBL27488595

SCHEMBL27488595

CCCCCCCCCCCCCCCCCCN(C)c1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
PAX8 Q06710 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
HTR7 P34969 3/20 0.50
CNR2 P34972 1/20 0.42
ICMT O60725 1/20 0.40
GPR84 Q9NQS5 2/20 0.40
JAK2 O60674 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MAPT P10636 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
DNM1 Q05193 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
SCHEMBL9166807 1.00 GPX4 (0.57) GPX4NPC1RAB9APAX8ALDH1A1
SCHEMBL9654013 1.00 GPX4 (0.57) GPX4NPC1RAB9APAX8ALDH1A1
SCHEMBL11139614 0.87 HTR7 (0.56) GPX4NPC1RAB9APAX8ALDH1A1
SCHEMBL11317252 0.86 HTR7 (0.52) GPX4NPC1RAB9APAX8ALDH1A1
SCHEMBL17084932 0.85 HTR7 (0.48) GPX4NPC1RAB9APAX8ALDH1A1
SCHEMBL28582298 0.84 ALDH1A1 (0.58) GPX4NPC1RAB9APAX8ALDH1A1
SCHEMBL17312248 0.84 ALDH1A1 (0.58) GPX4NPC1RAB9APAX8ALDH1A1
SCHEMBL14994805 0.84 ALDH1A1 (0.58) GPX4NPC1RAB9APAX8ALDH1A1
SCHEMBL15232530 0.84 ALDH1A1 (0.58) GPX4NPC1RAB9APAX8ALDH1A1
SCHEMBL28057991 0.84 ALDH1A1 (0.58) GPX4NPC1RAB9APAX8ALDH1A1

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
CN-1201819-A Saponification catalyst and method for using it to produce soap SUN XINGRANG (CN) 1998-12-16 CN disclosed