SCHEMBL7554908

SCHEMBL7554908

C=CCOc1ccc(-c2cnc(-c3ccc(C#CCCCC(C)F)cc3)nc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
MCHR1 Q99705 1/20 0.31
GAA P10253 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL7551693 1.00 CYP2D6 (0.34) CYP2D6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7554312 0.95 CYP2D6 (0.33) CYP2D6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7557299 0.94 CYP2D6 (0.36) CYP2D6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7557177 0.94 CYP2D6 (0.33) CYP2D6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7558906 0.93 CYP2D6 (0.36) CYP2D6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7561123 0.91 CYP2D6 (0.40) CYP2D6NPC1RAB9AKDM4EMAPT
SCHEMBL8604072 0.91 CYP2D6 (0.40) CYP2D6NPC1RAB9AKDM4EMAPT
SCHEMBL7557233 0.89 KDM4E (0.35) CYP2D6RAB9AKDM4EMAPTALDH1A1
SCHEMBL7553635 0.89 KDM4E (0.35) CYP2D6RAB9AKDM4EMAPTALDH1A1
SCHEMBL7557508 0.88 CYP2D6 (0.36) CYP2D6NPC1RAB9AKDM4EMAPT

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-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