SCHEMBL7554846

SCHEMBL7554846

C=CCOc1ccc(-c2ncc(-c3ccc(/C=C/CCCC(C)F)cc3)cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
SRC P12931 2/20 0.31
ABL1 P00519 1/20 0.31
GAA P10253 1/20 0.31
MCHR1 Q99705 2/20 0.30
HRH3 Q9Y5N1 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 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
SCHEMBL7562650 1.00 NPC1 (0.37) NPC1RAB9ATP53KDM4EALDH1A1
SCHEMBL7562655 1.00 NPC1 (0.37) NPC1RAB9ATP53KDM4EALDH1A1
SCHEMBL7554850 1.00 NPC1 (0.37) NPC1RAB9ATP53KDM4EALDH1A1
SCHEMBL7561173 0.95 NPC1 (0.34) NPC1RAB9ATP53KDM4EALDH1A1
SCHEMBL7561169 0.95 NPC1 (0.34) NPC1RAB9ATP53KDM4EALDH1A1
SCHEMBL7553876 0.94 NPC1 (0.34) NPC1RAB9ATP53KDM4EALDH1A1
SCHEMBL7553881 0.94 NPC1 (0.34) NPC1RAB9ATP53KDM4EALDH1A1
SCHEMBL7556617 0.94 NPC1 (0.35) NPC1RAB9ATP53KDM4EALDH1A1
SCHEMBL7556614 0.94 NPC1 (0.35) NPC1RAB9ATP53KDM4EALDH1A1
SCHEMBL7555050 0.93 NPC1 (0.34) NPC1RAB9ATP53KDM4EALDH1A1

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 5 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
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