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Sugi Predict / Compounds / SCHEMBL7414045

SCHEMBL7414045

SCHEMBL7414045

CCN(CC)C(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.51
▸ CTSS P25774 5/20 0.50
▸ CTSL P07711 4/20 0.50
▸ CTSB P07858 3/20 0.50
▸ CASP1 P29466 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TACR1 P25103 2/20 0.48
▸ KYNU Q16719 1/20 0.48

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
SCHEMBL7417082 0.92 CTSK (0.51) CTSKCTSSCTSLCTSBCASP1
SCHEMBL9848644 0.87 CTSK (0.54) CTSKCTSSCTSLCTSBCASP1
SCHEMBL9797371 0.84 CTSL (0.56) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL28968911 0.83 CASP1 (0.62) CTSKCASP1
SCHEMBL6261373 0.83 CASP1 (0.62) CTSKCASP1
SCHEMBL19227539 0.82 ALDH1A1 (0.57) CTSKCTSSCTSLCTSBCASP1
SCHEMBL4280669 0.82 CASP1 (0.67) CASP1
SCHEMBL26195471 0.82 CTSK (0.64) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL4280674 0.82 CASP1 (0.67) CASP1
SCHEMBL19076061 0.82 ALDH1A1 (0.52) CTSKCTSSCTSLCTSBCASP1

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
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 — — WO disclosed