SCHEMBL8047449

SCHEMBL8047449

C=CCOc1ccc(-c2ncc(-c3ccc(/C=C/CCCC(C)OCCCCC)c(F)c3F)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.32
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
SCHEMBL8047452 1.00 NPC1 (0.36) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8036954 0.94 NPC1 (0.33) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8036950 0.94 NPC1 (0.33) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8045942 0.93 NPC1 (0.32) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8045947 0.93 NPC1 (0.32) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8051198 0.92 CYP2D6 (0.31)
SCHEMBL8051203 0.92 CYP2D6 (0.31)
SCHEMBL8046619 0.92 RARB (0.32)
SCHEMBL8046616 0.92 RARB (0.32)
SCHEMBL8049175 0.91 KDM4E (0.36) NPC1RAB9AKDM4ESMN1; SMN2MAPT

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