SCHEMBL8046527

SCHEMBL8046527

CCCCCOC(C)CCCC=Cc1ccc(-c2ncc(-c3ccc(O)c(F)c3F)cn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
MAOB P27338 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TNNC1 P63316 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
RARB P10826 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
SCHEMBL8046523 1.00 NPC1 (0.32) NPC1RAB9AKDM4EABCG2MAOB
SCHEMBL8047530 0.95 RAB9A (0.33) NPC1RAB9AKDM4EMAOBSMN1; SMN2
SCHEMBL8047532 0.95 RAB9A (0.33) NPC1RAB9AKDM4EMAOBSMN1; SMN2
SCHEMBL8050771 0.93 ABCG2 (0.31) ABCG2MAOBTNNC1TRPV1LTB4R
SCHEMBL8050775 0.93 ABCG2 (0.31) ABCG2MAOBTNNC1TRPV1LTB4R
SCHEMBL8048924 0.91 KDM4E (0.36) NPC1RAB9AKDM4ESMN1; SMN2TNNC1
SCHEMBL8048930 0.91 KDM4E (0.36) NPC1RAB9AKDM4ESMN1; SMN2TNNC1
SCHEMBL8036608 0.91 TNNC1 (0.36) ABCG2MAOBTNNC1RARB
SCHEMBL8036602 0.91 TNNC1 (0.36) ABCG2MAOBTNNC1RARB
SCHEMBL8045988 0.90 TNNC1 (0.35) ABCG2MAOBTNNC1RARB

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