SCHEMBL7557508

SCHEMBL7557508

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
MCHR1 Q99705 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
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
CASR P41180 1/20 0.31
MAOB P27338 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30
GAA P10253 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
SCHEMBL7552198 0.91 SRC (0.39) CYP2D6CA12CA1CA9CASR
SCHEMBL7554908 0.88 CYP2D6 (0.34) CYP2D6MCHR1KDM4EALDH1A1MAPT
SCHEMBL7551693 0.88 CYP2D6 (0.34) CYP2D6MCHR1KDM4EALDH1A1MAPT
SCHEMBL7554101 0.88 ACACB (0.36) CYP2D6MCHR1KDM4EALDH1A1MAPT
SCHEMBL7561123 0.87 CYP2D6 (0.40) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL8604072 0.87 CYP2D6 (0.40) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL7557299 0.86 CYP2D6 (0.36) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL7557233 0.85 KDM4E (0.35) CYP2D6MCHR1KDM4EALDH1A1MAPT
SCHEMBL7553635 0.85 KDM4E (0.35) CYP2D6MCHR1KDM4EALDH1A1MAPT
SCHEMBL7558906 0.84 CYP2D6 (0.36) CYP2D6KDM4EALDH1A1MAPTMAPK1

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