SCHEMBL7558906

SCHEMBL7558906

C=CCOc1ccc(-c2ncc(C#CCCCC(C)F)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
NPC1 O15118 5/20 0.34
RAB9A P51151 4/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 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
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 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

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
SCHEMBL7557299 0.99 CYP2D6 (0.36) CYP2D6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7554908 0.93 CYP2D6 (0.34) CYP2D6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7551693 0.93 CYP2D6 (0.34) CYP2D6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7557177 0.92 CYP2D6 (0.33) CYP2D6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7553640 0.92 SRC (0.40) CYP2D6KDM4EMAPTALDH1A1MAPK1
SCHEMBL7554312 0.91 CYP2D6 (0.33) CYP2D6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8604072 0.87 CYP2D6 (0.40) CYP2D6NPC1RAB9AKDM4EMAPT
SCHEMBL7561123 0.87 CYP2D6 (0.40) CYP2D6NPC1RAB9AKDM4EMAPT
SCHEMBL7554909 0.87 ALDH1A1 (0.38) CYP2D6RAB9AKDM4EMAPTALDH1A1
SCHEMBL7557875 0.86 KDM4E (0.38) CYP2D6RAB9AKDM4EMAPTALDH1A1

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 6 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
EP-0667384-B1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-12-16 EP 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
EP-0667384-A1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-08-16 EP disclosed