SCHEMBL8545312

SCHEMBL8545312

O=C(Cl)c1ccc(OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GRM4 Q14833 1/20 0.34
MAOB P27338 4/20 0.33
MAOA P21397 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HTT P42858 2/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RHOC P08134 1/20 0.30
RHOA P61586 1/20 0.30
SRD5A2 P31213 1/20 0.30

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
SCHEMBL6973054 0.82 LTA4H (0.34)
SCHEMBL9147011 0.79 MAPT (0.56) MAPTUSP2TSHRSMN1; SMN2NPC1
SCHEMBL8542603 0.79 TSHR (0.34) MAPTUSP2TSHRSMN1; SMN2NPC1
SCHEMBL9578539 0.79 MAPT (0.51) MAPTUSP2TSHRSMN1; SMN2NPC1
SCHEMBL7557746 0.78 ESR2 (0.34)
SCHEMBL8545570 0.77 DGAT1 (0.34) MAPTUSP2TSHRSMN1; SMN2NPC1
SCHEMBL6966971 0.76 NPC1 (0.33) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL8545314 0.75 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL9187564 0.75 MAPT (0.48) MAPTUSP2TSHRSMN1; SMN2NPC1
SCHEMBL8540319 0.75 NPC1 (0.32) MAPTSMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736078-B1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING & MFG (US) 1998-06-24 EP disclosed
US-5474705-A Electrooptical displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 US disclosed