SCHEMBL11764262

SCHEMBL11764262

CC(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.58
CTSS P25774 2/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
CAPN1 P07384 2/20 0.52
S1PR4 O95977 1/20 0.51
S1PR1 P21453 1/20 0.51
MMP3 P08254 1/20 0.50
TACR1 P25103 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL11764270 1.00 CTSK (0.58) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL18775048 0.90 CTSK (0.60) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL25634730 0.90 CTSK (0.60) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL14092277 0.87 CTSK (0.58) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL18791072 0.85 CTSK (0.62) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL18775040 0.85 CTSK (0.62) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL11761725 0.83 CTSK (0.62) CTSKCTSSCTSLCTSB
SCHEMBL11761731 0.83 CTSK (0.62) CTSKCTSSCTSLCTSB
SCHEMBL31634257 0.83 CTSK (0.60) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL31634270 0.83 CTSK (0.60) CTSKCTSSCTSLCTSBCAPN1

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-4064236-A Peptide carbazates and pharmaceutical composition MERCK & CO., INC. (US) 1977-12-20 US disclosed