SCHEMBL7435893

SCHEMBL7435893

CCC[C@H](NC(=O)C(=O)[C@H](CC(F)(F)F)N(C=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.38
USP9X Q93008 5/20 0.37
UCHL1 P09936 1/20 0.37
USP5 P45974 1/20 0.37
RIPK1 Q13546 1/20 0.34
TACR3 P29371 1/20 0.34
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33

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
SCHEMBL7435885 1.00 CTSK (0.38) CTSKUSP9XUCHL1USP5RIPK1
SCHEMBL7444352 1.00 CTSK (0.38) CTSKUSP9XUCHL1USP5RIPK1
SCHEMBL7439373 0.92 ALDH1A1 (0.37) CTSKRIPK1TACR3
SCHEMBL7430640 0.92 ALDH1A1 (0.37) CTSKRIPK1TACR3
SCHEMBL7434693 0.92 ALDH1A1 (0.37) CTSKRIPK1TACR3
SCHEMBL7446905 0.87 TSHR (0.37) CTSKCTSS
SCHEMBL7446912 0.87 TSHR (0.37) CTSKCTSS
SCHEMBL7437021 0.86 CTSK (0.44) CTSKCTSLCTSSCTSBCTSH
SCHEMBL7447115 0.84 HDAC1 (0.36) CTSKCTSS
SCHEMBL7447094 0.84 HDAC1 (0.36) CTSKCTSS

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