SCHEMBL8422971

SCHEMBL8422971

CCCCCCCCc1cc(CC)c(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMPD1 P17405 1/20 0.35
ACLY P53396 1/20 0.35
CYP3A4 P08684 2/20 0.35
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL605640 0.93 NPC1 (0.37) PTGS2CNR2CNR1NPC1RAB9A
SCHEMBL29756256 0.90 ADORA3 (0.39) NPC1RAB9AADORA3
SCHEMBL4949050 0.90 ADORA3 (0.39) NPC1RAB9AADORA3
SCHEMBL17940508 0.87 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL29492042 0.87 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL28875559 0.87 TLR8 (0.35) PTGS2CNR2CNR1NPC1RAB9A
SCHEMBL4647349 0.85 PTGS2 (0.35) PTGS2CNR2CNR1NPC1RAB9A
SCHEMBL10880369 0.85 PTGS2 (0.35) PTGS2CNR2CNR1NPC1RAB9A
SCHEMBL17238259 0.84 HDAC6 (0.39) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL994987 0.83 NPC1 (0.47) PTGS2CNR2CNR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732361-B1 Ultraviolet absorber and coating material NIPPON OIL CO LTD (JP) 1999-10-06 EP disclosed
US-5627227-A Ultraviolet absorber and coating material NIPPON OIL CO., LTD. (JP) 1997-05-06 US disclosed
EP-0732361-A1 Ultraviolet absorber and coating material NIPPON OIL CO., LTD. (JP) 1996-09-18 EP disclosed