SCHEMBL7091989

SCHEMBL7091989

CCCCOCCOCCOc1cnc(-c2ccc(OCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(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 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
RARB P10826 2/20 0.40
MAPT P10636 3/20 0.39
RARA P10276 1/20 0.36
TSHR P16473 2/20 0.35
CYP2D6 P10635 8/20 0.35
CYP2C9 P11712 7/20 0.35
CYP2C19 P33261 7/20 0.35
CYP19A1 P11511 6/20 0.35
CYP3A4 P08684 5/20 0.35
CYP1A2 P05177 3/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7088434 0.95 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8428808 0.95 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7088350 0.94 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7091331 0.94 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7089034 0.93 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7064581 0.93 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8428820 0.89 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8428768 0.88 RARB (0.42) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7557738 0.88 RARB (0.42) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8426232 0.87 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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
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
US-5658491-A CONTROLLING BRIGHTNESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-19 US disclosed