SCHEMBL7737535

SCHEMBL7737535

CCCCCCCCCCOc1ccc(-c2ncc(OCc3ccccc3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HSD17B10 Q99714 1/20 0.56
RARB P10826 3/20 0.50
MAPT P10636 2/20 0.50
LTA4H P09960 2/20 0.50
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR5A1 Q13285 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MGLL Q99685 1/20 0.46

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
SCHEMBL8748478 0.90 RAB9A (0.50) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8748498 0.90 RAB9A (0.50) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8773136 0.90 RAB9A (0.57) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7841191 0.89 ALOX5 (0.49) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7841558 0.89 ALOX5 (0.49) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9239737 0.87 NPC1 (0.71) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9235626 0.87 NPC1 (0.71) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6017545 0.87 NPC1 (0.71) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL13987904 0.87 NPC1 (0.71) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6017464 0.87 NPC1 (0.71) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413448-B1 ESTERS; DOPANTS; LONGER CHIRAL SMECTIC PHASE PITCH; HIGHER TILT ANGLE; LOWER VISCOSITY; CRYSTALLIZATION SUPPRESSION; IMPROVED SOLUBILITY; BROADER C* PHASE TEMPERATURE RANGE DISPLAYTECH, INC. 2002-07-02 US disclosed
WO-2000065801-A9 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH INC (US) 2001-04-12 WO disclosed
WO-2000065801-A1 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH, INC. (US) 2000-11-02 WO disclosed