SCHEMBL7092947

SCHEMBL7092947

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.39
RARB P10826 4/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES1 P23141 1/20 0.36
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP19A1 P11511 1/20 0.34
NR5A1 Q13285 1/20 0.34

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
SCHEMBL7089161 0.93 RARB (0.41) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7092010 0.92 RARB (0.42) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7064581 0.91 NPC1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7089034 0.91 NPC1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7088446 0.91 RARB (0.41) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7091331 0.90 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7091996 0.90 RARB (0.42) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8428808 0.89 NPC1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8428923 0.89 NPC1 (0.49) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7088434 0.87 NPC1 (0.42) 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