SCHEMBL8046092

SCHEMBL8046092

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc(-c3ncc(O)cn3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MAPT P10636 1/20 0.30
RARB P10826 1/20 0.30
PTPN11 Q06124 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
SCHEMBL8046100 1.00 NPC1 (0.33) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8048556 0.94 NPC1 (0.32) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8048551 0.94 NPC1 (0.32) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8054405 0.93 ALDH1A1 (0.31) ALDH1A1CNR1CNR2
SCHEMBL8054404 0.93 ALDH1A1 (0.31) ALDH1A1CNR1CNR2
SCHEMBL8051308 0.90 CNR2 (0.34) ALDH1A1CNR1CNR2
SCHEMBL8051303 0.90 CNR2 (0.34) ALDH1A1CNR1CNR2
SCHEMBL8036746 0.90 NPC1 (0.36) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8036748 0.90 NPC1 (0.36) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8046568 0.89 CNR2 (0.34) ALDH1A1CNR1CNR2

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