SCHEMBL8545570

SCHEMBL8545570

C[C@H](Cl)C(=O)Oc1ccc(-c2ccc(OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 2/20 0.31
KIF11 P52732 1/20 0.31
SRD5A2 P31213 2/20 0.30
ELANE P08246 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
RARB P10826 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
SCHEMBL8540081 0.91 DGAT1 (0.34) DGAT1MEN1KMT2ANPSR1MAPT
SCHEMBL8547042 0.91 DGAT1 (0.35) DGAT1MEN1KMT2ANPSR1MAPT
SCHEMBL8541985 0.91 DGAT1 (0.33) DGAT1
SCHEMBL8546578 0.89 DGAT1 (0.32) DGAT1NPSR1MAPTNPC1RAB9A
SCHEMBL8544687 0.88 CYP17A1 (0.39) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8545221 0.85 HDAC3 (0.33) DGAT1MEN1KMT2ANPSR1MAPT
SCHEMBL8544724 0.84 AAK1 (0.30)
SCHEMBL8546595 0.82 AAK1 (0.31) DGAT1NPSR1
SCHEMBL8545556 0.82 AAK1 (0.33)
SCHEMBL8542603 0.81 TSHR (0.34) MEN1KMT2ANPSR1MAPTNPC1

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