SCHEMBL8045947

SCHEMBL8045947

C=CCOc1ccc(-c2cnc(-c3ccc(C=CCCCC(C)OCCCCC)c(F)c3F)nc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RARB P10826 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL8045942 1.00 NPC1 (0.32) NPC1RAB9AKDM4ERARBSMN1; SMN2
SCHEMBL8047449 0.93 NPC1 (0.36) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8047452 0.93 NPC1 (0.36) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8036656 0.92
SCHEMBL8036648 0.92
SCHEMBL8036721 0.92 KDM4E (0.33) RAB9AKDM4E
SCHEMBL8036718 0.92 KDM4E (0.33) RAB9AKDM4E
SCHEMBL8046616 0.92 RARB (0.32) RARB
SCHEMBL8046619 0.92 RARB (0.32) RARB
SCHEMBL8051203 0.91 CYP2D6 (0.31) RARB

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