SCHEMBL7928203

SCHEMBL7928203

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.49
CTSL P07711 9/20 0.49
CTSB P07858 5/20 0.49
CTSK P43235 8/20 0.47
KYNU Q16719 1/20 0.45
SYK P43405 1/20 0.45
TACR1 P25103 1/20 0.45

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
SCHEMBL7922945 0.92 KLK7 (0.51) CTSSCTSLCTSBCTSKSYK
SCHEMBL18103764 0.90 KYNU (0.51) CTSSCTSLCTSBCTSKKYNU
SCHEMBL18103765 0.90 KYNU (0.51) CTSSCTSLCTSBCTSKKYNU
SCHEMBL18103837 0.87 CASP1 (0.53) CTSSCTSLCTSBCTSKKYNU
SCHEMBL7928236 0.86 KYNU (0.46) CTSSCTSLCTSBCTSKKYNU
SCHEMBL14583259 0.82 CTSS (0.65) CTSSCTSLCTSBCTSK
SCHEMBL6812701 0.81 CTSS (0.52) CTSSCTSLCTSBCTSKKYNU
Water SCHEMBL2580712 0.81 PPARA (0.56) CTSSCTSLCTSBCTSKSYK
Water SCHEMBL29401166 0.81 PPARA (0.56) CTSSCTSLCTSBCTSKSYK
SCHEMBL478289 0.80 PPARA (0.57) CTSSCTSLCTSBCTSKSYK

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