SCHEMBL8046466

SCHEMBL8046466

C=CCOc1ccc(-c2cnc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.35
RARB P10826 4/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
TP53 P04637 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
MCHR1 Q99705 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL8046470 1.00 NPC1 (0.40) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8046982 0.94 RAB9A (0.37) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8046985 0.94 RAB9A (0.37) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8053980 0.94 RAB9A (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8053983 0.94 RAB9A (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8051346 0.94 RAB9A (0.37) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8051342 0.94 RAB9A (0.37) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8036844 0.92 NPC1 (0.38) NPC1RAB9AKDM4ERARBABCG2
SCHEMBL8047131 0.92 NPC1 (0.38) NPC1RAB9AKDM4ERARBABCG2
SCHEMBL8047135 0.92 NPC1 (0.38) NPC1RAB9AKDM4ERARBABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed