SCHEMBL7561173

SCHEMBL7561173

C=CCOc1ccc(-c2ccc(-c3ncc(C=CCCCC(C)F)cn3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
SRC P12931 2/20 0.32
ABL1 P00519 1/20 0.32
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 2/20 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
SCHEMBL7561169 1.00 NPC1 (0.34) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7556614 0.99 NPC1 (0.35) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7556617 0.99 NPC1 (0.35) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7562655 0.95 NPC1 (0.37) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7554846 0.95 NPC1 (0.37) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7562650 0.95 NPC1 (0.37) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7554850 0.95 NPC1 (0.37) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7553881 0.92 NPC1 (0.34) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL7553876 0.92 NPC1 (0.34) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL7555050 0.91 NPC1 (0.34) NPC1RAB9AKDM4ETP53ALDH1A1

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-0708165-B1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL CO (JP) 2002-01-09 EP disclosed
US-6246452-B1 FERROELECTRIC CHIRAL SMECTIC LIQUID CRYSTAL MIXTURE HAVING IMPROVED RESPONSE SPEED WHICH CAN BE USED AS AN OPTICAL SHUTTER OR DISPLAY DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-12 US disclosed
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0708165-A1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-24 EP disclosed