SCHEMBL16525596

SCHEMBL16525596

CCCCCCCCCCCN(CCCCCCCCC)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.46
KCNH2 Q12809 1/20 0.45
NPC1 O15118 1/20 0.44
JAK2 O60674 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
FAAH O00519 2/20 0.43
CYP1A2 P05177 1/20 0.43
EPHX2 P34913 1/20 0.43
CNR2 P34972 1/20 0.43
ICMT O60725 1/20 0.43
ALB P02768 1/20 0.43
CETP P11597 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL28357247 1.00 CSNK1E (0.46) CSNK1EKCNH2NPC1JAK2RAB9A
SCHEMBL28357249 1.00 CSNK1E (0.46) CSNK1EKCNH2NPC1JAK2RAB9A
SCHEMBL15044785 1.00 CSNK1E (0.46) CSNK1EKCNH2NPC1JAK2RAB9A
SCHEMBL4237993 0.94 KCNH2 (0.47) CSNK1EKCNH2NPC1JAK2RAB9A
SCHEMBL28191366 0.89 TP53 (0.42) CSNK1EKCNH2CYP1A2CNR2ICMT
SCHEMBL15044806 0.88 CYP1A2 (0.41) KCNH2NPC1JAK2RAB9APAX8
SCHEMBL9225980 0.87 CYP1A2 (0.48) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL9225983 0.87 CYP1A2 (0.48) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL20521559 0.86 CYP1A2 (0.44) CYP1A2
SCHEMBL20521558 0.86 CYP1A2 (0.44) CYP1A2

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-8968712-B2 Cosmetic compositions THE PROCTER & GAMBLE COMPANY (US) 2015-03-03 US claimed