SCHEMBL7088432

SCHEMBL7088432

CCCCCCOc1cnc(-c2ccc(OCCCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.42
RARB P10826 3/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP1A2 P05177 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL8426227 1.00 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7091626 1.00 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8428633 1.00 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8428683 0.99 NPC1 (0.45) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8426361 0.97 NPC1 (0.45) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8426232 0.97 NPC1 (0.45) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8428820 0.97 NPC1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7094545 0.94 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7064581 0.93 NPC1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7089034 0.93 NPC1 (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868501-B1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING & MFG (US) 2003-08-13 EP disclosed
US-5928562-A HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-27 US disclosed
EP-0868501-A1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-07 EP disclosed
US-5658491-A CONTROLLING BRIGHTNESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-19 US disclosed
WO-1997013822-A1 PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-17 WO disclosed