SCHEMBL8036874

SCHEMBL8036874

C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3F)nc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
RARB P10826 1/20 0.31
ALOX5AP P20292 4/20 0.31
FEN1 P39748 4/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8036878 1.00 CNR2 (0.34) CNR2CNR1NPC1RAB9AKDM4E
SCHEMBL8036801 0.95 CNR2 (0.36) CNR2CNR1NPC1RAB9AKDM4E
SCHEMBL8036806 0.95 CNR2 (0.36) CNR2CNR1NPC1RAB9AKDM4E
SCHEMBL8047390 0.94 RAB9A (0.37) CNR2CNR1NPC1RAB9AKDM4E
SCHEMBL8047385 0.94 RAB9A (0.37) CNR2CNR1NPC1RAB9AKDM4E
SCHEMBL8037211 0.94 NPC1 (0.32) CNR2CNR1NPC1RAB9AKDM4E
SCHEMBL8037217 0.94 NPC1 (0.32) CNR2CNR1NPC1RAB9AKDM4E
SCHEMBL8047886 0.91 CNR2 (0.36) CNR2CNR1RARB
SCHEMBL8047883 0.91 CNR2 (0.36) CNR2CNR1RARB
SCHEMBL8048518 0.91 RAB9A (0.37) CNR2CNR1NPC1RAB9AKDM4E

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