SCHEMBL8048004

SCHEMBL8048004

C=CCOc1cnc(-c2ccc(-c3ccc(C=CCCCC(C)OCCCCC)c(F)c3)cc2)nc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8048002 1.00 NPC1 (0.33) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8051916 0.97 KDM4E (0.32) NPC1RAB9AKDM4E
SCHEMBL8051922 0.97 KDM4E (0.32) NPC1RAB9AKDM4E
SCHEMBL8048792 0.93 NPC1 (0.34) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8048787 0.93 NPC1 (0.34) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8046615 0.91 RARB (0.35)
SCHEMBL8046612 0.91 RARB (0.35)
SCHEMBL8036742 0.91 RARB (0.35)
SCHEMBL8036745 0.91 RARB (0.35)
SCHEMBL8036583 0.90 KDM4E (0.34) RAB9AKDM4E

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