SCHEMBL6977140

SCHEMBL6977140

F[C@H](COCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COc1ccc(-c2ncc(OCc3ccccc3)cn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
GRM2 Q14416 1/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PRMT5 O14744 1/20 0.32
SCD O00767 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
GSTP1 P09211 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6973622 0.87
SCHEMBL7092962 0.86 MAOB (0.36) MAOBGRM2GAAMGAMSI
SCHEMBL8434551 0.86 AOC3 (0.33)
SCHEMBL6974983 0.83 NPC1 (0.39) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8387769 0.83 NPC1 (0.39) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8387772 0.83 NPC1 (0.39) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL6966512 0.83 NPC1 (0.39) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL6974977 0.83 NPC1 (0.39) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL6966514 0.83 NPC1 (0.39) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL6979348 0.82 NPC1 (0.34) KDM4ENPC1RAB9ASMN1; SMN2

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