SCHEMBL7559247

SCHEMBL7559247

C=CCOc1ccc(-c2ccc(-c3cnc(/C=C/CCCC(C)F)cn3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SRC P12931 2/20 0.31
ABL1 P00519 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
DCTPP1 Q9H773 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7559250 1.00 CYP2D6 (0.32) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL7554662 0.99 CYP2D6 (0.33) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL7554659 0.99 CYP2D6 (0.33) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL7554456 0.89 NPC1 (0.39) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL7554453 0.89 NPC1 (0.39) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL7555260 0.89 CYP2D6 (0.34) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL7555251 0.89 CYP2D6 (0.34) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL8051306 0.88 CYP2D6 (0.37) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL8051314 0.88 CYP2D6 (0.37) CYP2D6KDM4EALDH1A1MAPTMAPK1
SCHEMBL7554866 0.86 RAB9A (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