SCHEMBL7553244

SCHEMBL7553244

C=CCOc1ccc(-c2ccc3cc(/C=C/CCCC(C)F)ccc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
MAOB P27338 3/20 0.36
SRC P12931 2/20 0.34
ABL1 P00519 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
CASR P41180 1/20 0.31
MAOA P21397 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA9 Q16790 2/20 0.30
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 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
SCHEMBL7553246 1.00 MAPT (0.39) MAPTMAOBSRCABL1NPC1
SCHEMBL7556378 0.95 MAPT (0.41) MAPTMAOBSRCABL1NPC1
SCHEMBL7556381 0.95 MAPT (0.41) MAPTMAOBSRCABL1NPC1
SCHEMBL8046326 0.91 MAPT (0.42) MAPTMAOBSRCABL1NPC1
SCHEMBL8046321 0.91 MAPT (0.42) MAPTMAOBSRCABL1NPC1
SCHEMBL7559112 0.88 NPC1 (0.40) SRCABL1NPC1RAB9ATP53
SCHEMBL7559117 0.88 NPC1 (0.40) SRCABL1NPC1RAB9ATP53
SCHEMBL7557401 0.87 SRC (0.37) MAPTMAOBSRCABL1NPC1
SCHEMBL7557406 0.87 SRC (0.37) MAPTMAOBSRCABL1NPC1
SCHEMBL8602381 0.86 CA12 (0.40) MAPTSRCABL1NPC1RAB9A

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