SCHEMBL7433368

SCHEMBL7433368

COc1ccc(NC(=O)C(=O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CTSK P43235 4/20 0.39
THRB P10828 2/20 0.39
TP53 P04637 1/20 0.39
ABCB1 P08183 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CACNA1B Q00975 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7443775 0.89 SMN1; SMN2 (0.51) MAPTSMN1; SMN2PPARGPPARACTSK
SCHEMBL7443714 0.81 RAB9A (0.43) RAB9AMAPTSMN1; SMN2THRBTP53
SCHEMBL2157110 0.77 RAB9A (0.53) RAB9ASMN1; SMN2THRBTP53CA12
SCHEMBL7443191 0.77 CTSK (0.54) SMN1; SMN2CTSKCACNA1BPOLBMEN1
SCHEMBL7433375 0.75 RAB9A (0.40) RAB9AMAPTSMN1; SMN2THRBTP53
SCHEMBL7440796 0.73 CTSK (0.64) CTSKCA1CA2
SCHEMBL7433111 0.73 CTSK (0.49) PPARGPPARACTSKCA1CA2
SCHEMBL7446907 0.73 CTSK (0.56) PPARGPPARACTSK
SCHEMBL18173887 0.72 PPARG (0.44) RAB9AMAPTSMN1; SMN2PPARGPPARA
SCHEMBL18173886 0.72 PPARG (0.44) RAB9AMAPTSMN1; SMN2PPARGPPARA

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
US-6187905-B1 PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2001-02-13 US disclosed