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SCHEMBL7440652

SCHEMBL7440652

CC(C)(C)OC(=O)NC(CC(F)(F)F)C(O)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.47
▸ CTSS P25774 5/20 0.47
▸ S1PR3 Q99500 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ KLK5 Q9Y337 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL7442497 0.90 CTSK (0.49) CTSKCTSSGABRB1GABRB2KLK5
SCHEMBL7442604 0.88 CTSK (0.45) CTSKCTSSGABRB1GABRB2KLK5
SCHEMBL7429952 0.88 CTSK (0.45) CTSKCTSSGABRB1GABRB2KLK5
SCHEMBL7441752 0.88 CTSK (0.45) CTSKCTSSGABRB1GABRB2KLK5
SCHEMBL7443768 0.86 CTSK (0.44) CTSKCTSSGABRB1GABRB2KLK5
SCHEMBL7431637 0.86 CTSK (0.44) CTSKCTSSGABRB1GABRB2KLK5
SCHEMBL7429906 0.83 CTSK (0.49) CTSKCTSSKLK5CTSLCTSB
SCHEMBL7443440 0.80 CA1 (0.48) CTSKCTSSCTSLCTSB
SCHEMBL7430555 0.80 METAP2 (0.47) CTSKCTSSGABRB1GABRB2CTSB
SCHEMBL7445788 0.79 CA1 (0.45) CTSKCTSSCTSLCTSB

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