SCHEMBL6967243

SCHEMBL6967243

CCCCCCCCc1cnc(-c2ccc(OCC(O)COCC(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 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.40
S1PR1 P21453 3/20 0.37
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PLA2G4B P0C869 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 3/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL6967238 1.00 RARB (0.40) RARBS1PR1RAB9ASMN1; SMN2MAPT
SCHEMBL6972168 0.99 RARB (0.41) RARBS1PR1RAB9ASMN1; SMN2MAPT
SCHEMBL6972164 0.99 RARB (0.41) RARBS1PR1RAB9ASMN1; SMN2MAPT
SCHEMBL6968573 0.98 RARB (0.40) RARBS1PR1RAB9ASMN1; SMN2MAPT
SCHEMBL6968421 0.98 RARB (0.40) RARBS1PR1RAB9ASMN1; SMN2MAPT
SCHEMBL6978797 0.98 RARB (0.40) RARBS1PR1RAB9ASMN1; SMN2MAPT
SCHEMBL6978789 0.98 RARB (0.40) RARBS1PR1RAB9ASMN1; SMN2MAPT
SCHEMBL6968569 0.98 RARB (0.40) RARBS1PR1RAB9ASMN1; SMN2MAPT
SCHEMBL6968419 0.98 RARB (0.40) RARBS1PR1RAB9ASMN1; SMN2MAPT
SCHEMBL6904620 0.92 RARB (0.41) RARBS1PR1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821719-B1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING & MFG (US) 2003-01-02 EP disclosed
US-5972241-A ELECTROOPTICAL APPLICATIONS, IN PARTICULAR THOSE WHICH REQUIRE COMPACT, ENERGY-EFFICIENT, VOLTAGE-CONTROLLED LIGHT VALVES, E.G., WATCHES AND COMPUTERS 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-10-26 US disclosed
EP-0821719-A1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-02-04 EP disclosed
WO-1996033251-A1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-24 WO disclosed