SCHEMBL8324472

SCHEMBL8324472

CCCCCOc1ccc(Nc2ccc(Nc3ccc(OCCCCC)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
NR5A1 Q13285 1/20 0.60
LTA4H P09960 3/20 0.58
UNG P13051 2/20 0.57
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.54
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
FAAH O00519 7/20 0.53

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
SCHEMBL11470886 0.98 NR5A1 (0.63) NPC1RAB9ANR5A1LTA4HUNG
SCHEMBL1128464 0.98 NR5A1 (0.63) NPC1RAB9ANR5A1LTA4HUNG
SCHEMBL8962079 0.98 NR5A1 (0.63) NPC1RAB9ANR5A1LTA4HUNG
SCHEMBL49791 0.96 NPC1 (0.58) NPC1RAB9ANR5A1LTA4HUNG
SCHEMBL31151862 0.96 NPC1 (0.58) NPC1RAB9ANR5A1LTA4HUNG
SCHEMBL29381835 0.93 RARB (0.59) NPC1RAB9ANR5A1LTA4HUNG
SCHEMBL24145746 0.91 LTA4H (0.64) NPC1RAB9ANR5A1LTA4HUNG
SCHEMBL12780461 0.91 NR5A1 (0.56) NPC1RAB9ANR5A1LTA4HUNG
SCHEMBL8962108 0.91 LTA4H (0.64) NPC1RAB9ANR5A1LTA4HUNG
SCHEMBL8962156 0.91 LTA4H (0.64) NPC1RAB9ANR5A1LTA4HUNG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929194-A POLY(TERT-DI OR POLYARYLAMINE) CONTAINING END GROUPS, IN EACH OCCURANCE SELECTED BY HYDROXY, GLYCIDYL ETHER, ACRYLATE OR METHACRYLATES, ETHENYL, ETHYNYL, VINYLBENZOXY, IMIDES, TRIFLUROVINYL ETHER AND BOUNDED CYCLOBUTENE THE DOW CHEMICAL COMPANY (US) 1999-07-27 US disclosed
WO-1997033193-A2 CROSS-LINKABLE OR CHAIN EXTENDABLE POLYARYLPOLYAMINES AND FILMS THEREOF THE DOW CHEMICAL COMPANY (US) 1997-09-12 WO disclosed