SCHEMBL582744

SCHEMBL582744

O=C(NCc1cc(C(F)(F)F)ccc1F)[C@@](O)(c1ccc(F)cc1)C(F)(F)F.O=C(NCc1cc(C(F)(F)F)ccc1F)[C@@](O)(c1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.44
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
DDR1 Q08345 4/20 0.40
POLB P06746 1/20 0.39
USP30 Q70CQ3 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
SLC6A9 P48067 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.37
TRPA1 O75762 1/20 0.36
RIPK1 Q13546 1/20 0.36
GAA P10253 1/20 0.36
NTRK1 P04629 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL582743 1.00 CETP (0.44) CETPKMT2ALMNANPSR1L3MBTL1
SCHEMBL582690 0.94 KMT2A (0.44) CETPKMT2ALMNANPSR1L3MBTL1
SCHEMBL5521185 0.94 KMT2A (0.44) CETPKMT2ALMNANPSR1L3MBTL1
SCHEMBL582894 0.94 KMT2A (0.44) CETPKMT2ALMNANPSR1L3MBTL1
SCHEMBL5513992 0.92 KMT2A (0.46) CETPKMT2ALMNANPSR1L3MBTL1
SCHEMBL5517353 0.92 KMT2A (0.46) CETPKMT2ALMNANPSR1L3MBTL1
SCHEMBL582826 0.92 KMT2A (0.46) CETPKMT2ALMNANPSR1L3MBTL1
SCHEMBL582742 0.91 POLB (0.44) CETPKMT2ALMNANPSR1L3MBTL1
SCHEMBL582729 0.81 P2RX7 (0.43) CETPKMT2ALMNADDR1SUCNR1
SCHEMBL5517336 0.81 P2RX7 (0.43) CETPKMT2ALMNADDR1SUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755572-B1 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-02-15 EP disclosed