SCHEMBL7559112

SCHEMBL7559112

C=CCOc1ccc(-c2cc3ccc(/C=C/CCCC(C)F)cc3cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.40
RAB9A P51151 7/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SRC P12931 2/20 0.34
ABL1 P00519 1/20 0.34
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.32
CASR P41180 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
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
SCHEMBL7559117 1.00 NPC1 (0.40) NPC1RAB9ACASP3SENP7SRC
SCHEMBL7552072 0.95 NPC1 (0.41) NPC1RAB9ACASP3SENP7SRC
SCHEMBL7552074 0.95 NPC1 (0.41) NPC1RAB9ACASP3SENP7SRC
SCHEMBL8047658 0.90 NPC1 (0.40) NPC1RAB9ACASP3SENP7SRC
SCHEMBL8047652 0.90 NPC1 (0.40) NPC1RAB9ACASP3SENP7SRC
SCHEMBL7557401 0.88 SRC (0.37) NPC1RAB9ASRCABL1TP53
SCHEMBL7556602 0.88 RAB9A (0.36) NPC1RAB9ACASP3SENP7SRC
SCHEMBL7554456 0.88 NPC1 (0.39) NPC1RAB9ASRCABL1TP53
SCHEMBL7554453 0.88 NPC1 (0.39) NPC1RAB9ASRCABL1TP53
SCHEMBL7557406 0.88 SRC (0.37) NPC1RAB9ASRCABL1TP53

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