SCHEMBL8539467

SCHEMBL8539467

C[C@H](Cl)C(=O)Oc1cnc(-c2ccc(OCC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DGAT1 O75907 4/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CACNA1I Q9P0X4 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
SCHEMBL8546578 0.90 DGAT1 (0.32) USP2MAPTTSHRNPC1RAB9A
SCHEMBL8539471 0.83 HDAC4 (0.30)
SCHEMBL8546595 0.83 AAK1 (0.31) DGAT1NPSR1
SCHEMBL8546579 0.82
SCHEMBL7914492 0.81 MAPT (0.35) USP2MAPTTSHRNPC1RAB9A
SCHEMBL8545570 0.80 DGAT1 (0.34) USP2MAPTTSHRNPC1RAB9A
SCHEMBL8545556 0.79 AAK1 (0.33)
SCHEMBL9130544 0.78 NPC1 (0.40) USP2MAPTTSHRNPC1RAB9A
SCHEMBL7904527 0.76 USP2 (0.31) USP2MAPTTSHR
SCHEMBL8546599 0.76 CTRC (0.31)

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