SCHEMBL7554015

SCHEMBL7554015

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
SRC P12931 2/20 0.34
ABL1 P00519 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CASR P41180 1/20 0.31
MAOB P27338 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7554014 1.00 CYP2D6 (0.34) CYP2D6SRCABL1KDM4EALDH1A1
SCHEMBL7558965 0.91 SRC (0.42) CYP2D6SRCABL1MAPTCA12
SCHEMBL7558968 0.91 SRC (0.42) CYP2D6SRCABL1MAPTCA12
SCHEMBL8047845 0.89 CYP2D6 (0.39) CYP2D6SRCABL1KDM4EALDH1A1
SCHEMBL8037242 0.89 CYP2D6 (0.39) CYP2D6SRCABL1KDM4EALDH1A1
SCHEMBL8047842 0.89 CYP2D6 (0.39) CYP2D6SRCABL1KDM4EALDH1A1
SCHEMBL8037238 0.89 CYP2D6 (0.39) CYP2D6SRCABL1KDM4EALDH1A1
SCHEMBL7555251 0.89 CYP2D6 (0.34) CYP2D6SRCABL1KDM4EALDH1A1
SCHEMBL7555260 0.89 CYP2D6 (0.34) CYP2D6SRCABL1KDM4EALDH1A1
SCHEMBL7562650 0.87 NPC1 (0.37) CYP2D6SRCABL1KDM4EALDH1A1

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