SCHEMBL7437324

SCHEMBL7437324

CC(C)(C)OCc1ccc(CNC(=O)C(=O)[C@H](CC(F)(F)F)N(C=O)OC(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX2 P34913 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL7437313 1.00 CTSK (0.33) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL7442363 0.89 CTSK (0.43) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL7442344 0.89 CTSK (0.43) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL7435950 0.88 EPHX2 (0.39) CTSKALDH1A1MAPTEPHX2NR1H4
SCHEMBL7435958 0.88 EPHX2 (0.39) CTSKALDH1A1MAPTEPHX2NR1H4
SCHEMBL7440856 0.85 L3MBTL1 (0.40) MEN1ALDH1A1MAPTKMT2AGAA
SCHEMBL7440833 0.85 L3MBTL1 (0.40) MEN1ALDH1A1MAPTKMT2AGAA
SCHEMBL7434161 0.81 TPSAB1 (0.32) EPHX2
SCHEMBL7443195 0.81 ALDH1A1 (0.43) MEN1ALDH1A1KMT2AEPHX2HPGD
SCHEMBL7443186 0.81 ALDH1A1 (0.43) MEN1ALDH1A1KMT2AEPHX2HPGD

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