SCHEMBL8048787

SCHEMBL8048787

C=CCOc1ccc(-c2cnc(-c3ccc(/C=C/CCCC(C)OCCCCC)c(F)c3)nc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RARB P10826 3/20 0.31
PTPN1 P18031 1/20 0.31
MAPT P10636 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
SCHEMBL8048792 1.00 NPC1 (0.34) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8051916 0.94 KDM4E (0.32) NPC1RAB9AKDM4E
SCHEMBL8051922 0.94 KDM4E (0.32) NPC1RAB9AKDM4E
SCHEMBL8048004 0.93 NPC1 (0.33) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8048002 0.93 NPC1 (0.33) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8036742 0.92 RARB (0.35) RARBPTPN1
SCHEMBL8046615 0.92 RARB (0.35) RARBPTPN1
SCHEMBL8046612 0.92 RARB (0.35) RARBPTPN1
SCHEMBL8036745 0.92 RARB (0.35) RARBPTPN1
SCHEMBL8036918 0.91 KDM4E (0.34) RAB9AKDM4EMAPT

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