SCHEMBL7559453

SCHEMBL7559453

C=CCOc1ccc(-c2ccc3cc(C#CCCCC(C)F)ccc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
SRC P12931 2/20 0.35
ABL1 P00519 1/20 0.35
MAOB P27338 4/20 0.33
MAOA P21397 2/20 0.33
GAA P10253 4/20 0.33
MGAM O43451 3/20 0.33
SI P14410 3/20 0.33
MGAM2 Q2M2H8 3/20 0.33
CA12 O43570 5/20 0.32
CA1 P00915 5/20 0.32
CA9 Q16790 5/20 0.32
CASR P41180 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL7558048 0.95 SRC (0.39) CYP2D6SRCABL1MAOBMAOA
SCHEMBL8597099 0.92 CA12 (0.38) CYP2D6SRCABL1GAACA12
SCHEMBL8604072 0.91 CYP2D6 (0.40) CYP2D6MAOBMAOAGAAMGAM
SCHEMBL7561123 0.91 CYP2D6 (0.40) CYP2D6MAOBMAOAGAAMGAM
SCHEMBL7555746 0.89 FTO (0.33) SRCABL1
SCHEMBL8601078 0.88 ERN1 (0.31) SRCABL1
SCHEMBL7554981 0.88 NPC1 (0.38) CYP2D6SRCABL1MAOBMAOA
SCHEMBL7555287 0.87 MAPT (0.36) CYP2D6SRCABL1MAOBMAOA
SCHEMBL7556032 0.86 HRH3 (0.33) ALDH1A1
SCHEMBL8600121 0.85 SRC (0.39) CYP2D6SRCABL1CA12CA1

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