SCHEMBL7555247

SCHEMBL7555247

C=CCOc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)F)cc3)nn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 1/20 0.39
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
CYP2D6 P10635 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
MITF O75030 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
SRC P12931 2/20 0.32
ABL1 P00519 1/20 0.32
GAA P10253 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL7555244 1.00 NPC1 (0.39) NPC1RAB9ATP53SLC5A1SLC5A2
SCHEMBL7554453 0.91 NPC1 (0.39) NPC1RAB9ATP53SLC5A1SLC5A2
SCHEMBL7554456 0.91 NPC1 (0.39) NPC1RAB9ATP53SLC5A1SLC5A2
SCHEMBL7556607 0.91 RAB9A (0.36) NPC1RAB9ATP53SLC5A1SLC5A2
SCHEMBL7556602 0.91 RAB9A (0.36) NPC1RAB9ATP53SLC5A1SLC5A2
SCHEMBL7552360 0.91 NPC1 (0.43) NPC1RAB9ATP53SLC5A1SLC5A2
SCHEMBL8599926 0.91 NPC1 (0.43) NPC1RAB9ATP53SLC5A1SLC5A2
SCHEMBL7552366 0.91 NPC1 (0.43) NPC1RAB9ATP53SLC5A1SLC5A2
SCHEMBL8599923 0.91 NPC1 (0.43) NPC1RAB9ATP53SLC5A1SLC5A2
SCHEMBL7557355 0.91 RAB9A (0.37) NPC1RAB9ATP53SLC5A1SLC5A2

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