SCHEMBL7928236

SCHEMBL7928236

COC(=O)NC(CC(=O)OCc1ccccc1)C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.46
CTSS P25774 11/20 0.45
CTSL P07711 10/20 0.45
CTSB P07858 7/20 0.45
CTSK P43235 5/20 0.45
TACR1 P25103 1/20 0.43
MMP9 P14780 1/20 0.41
CASP1 P29466 2/20 0.41

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
SCHEMBL18103765 0.92 KYNU (0.51) KYNUCTSSCTSLCTSBCTSK
SCHEMBL18103764 0.92 KYNU (0.51) KYNUCTSSCTSLCTSBCTSK
SCHEMBL7922945 0.90 KLK7 (0.51) CTSSCTSLCTSBCTSK
SCHEMBL7928203 0.86 CTSS (0.49) KYNUCTSSCTSLCTSBCTSK
SCHEMBL18103837 0.86 CASP1 (0.53) KYNUCTSSCTSLCTSBCTSK
SCHEMBL6812701 0.80 CTSS (0.52) KYNUCTSSCTSLCTSBCTSK
SCHEMBL25491977 0.78 MMP9 (0.52) KYNUCTSSCTSLCTSBCTSK
SCHEMBL755795 0.78 MMP9 (0.52) KYNUCTSSCTSLCTSBCTSK
SCHEMBL15996601 0.77 ALDH1A1 (0.55) KYNUCTSSCTSLCTSBCTSK
SCHEMBL890103 0.77 ALDH1A1 (0.55) KYNUCTSSCTSLCTSBCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235929-B1 SELECTIVELY INHIBITING SERINE PROTEASES, SELECTIVELY INHIBITING CYSTEINE PROTEASES, GEORGIA TECH RESEARCH CORPORATION 2001-05-22 US disclosed
US-5763576-A Tetrapeptide α-ketoamides GEORGIA TECH RESEARCH CORP. (US) 1998-06-09 US disclosed