SCHEMBL7433375

SCHEMBL7433375

COc1ccc(NC(=O)C(=O)[C@H](CC(F)(F)F)N(C=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
MAPT P10636 4/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 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
SCHEMBL7443783 0.89 SMN1; SMN2 (0.40) RAB9AMAPTALDH1A1GAAHPGD
SCHEMBL7443718 0.82 RAB9A (0.41) RAB9AMAPTTSHRALDH1A1GAA
SCHEMBL7433368 0.75 RAB9A (0.42) RAB9AMAPTALDH1A1HPGDKDM4E
SCHEMBL7435950 0.73 EPHX2 (0.39) MAPTALDH1A1TDP1
SCHEMBL7436569 0.73
SCHEMBL7443197 0.72 MMP9 (0.47) TDP1MEN1KMT2A
SCHEMBL7443748 0.72
SCHEMBL7442363 0.72 CTSK (0.43) RAB9AMAPTALDH1A1HPGDLMNA
SCHEMBL7434693 0.71 ALDH1A1 (0.37) MAPTTSHRALDH1A1HPGDKDM4E
SCHEMBL7439373 0.71 ALDH1A1 (0.37) MAPTTSHRALDH1A1HPGDKDM4E

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