SCHEMBL8943895

SCHEMBL8943895

CCCCCCCCOc1ccc(Nc2ccc(Oc3ccc(-c4ccc(Oc5ccc(Nc6ccc(OCCCCCCCC)cc6)cc5Nc5ccc(OCCCCCCCC)cc5)cc4)cc3)c(Nc3ccc(OCCCCCCCC)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UNG P13051 2/20 0.46
RARB P10826 3/20 0.45
LTA4H P09960 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR5A1 Q13285 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 6/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8943853 0.96 UNG (0.49) UNGLTA4HNPC1RAB9ANR5A1
SCHEMBL8943737 0.92 LTA4H (0.46) UNGLTA4HNPC1RAB9AKDM4E
SCHEMBL29381835 0.84 RARB (0.59) UNGRARBLTA4HNPC1RAB9A
SCHEMBL8943755 0.82 ALDH1A1 (0.35) CYP3A4CYP2D6ALDH1A1MAPK1
SCHEMBL11470886 0.79 NR5A1 (0.63) UNGLTA4HNPC1RAB9ANR5A1
SCHEMBL8962079 0.79 NR5A1 (0.63) UNGLTA4HNPC1RAB9ANR5A1
SCHEMBL1128464 0.79 NR5A1 (0.63) UNGLTA4HNPC1RAB9ANR5A1
SCHEMBL24727604 0.78 RARB (0.54) UNGRARBLTA4HNPC1RAB9A
SCHEMBL30682518 0.78 LTA4H (0.58) UNGRARBLTA4HNPC1RAB9A
SCHEMBL8943613 0.78 RAB9A (0.53) NPC1RAB9AKDM4EALDH1A1HTT

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed