SCHEMBL11765572

SCHEMBL11765572

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 8/20 0.58
▸ MMP1 P03956 3/20 0.58
▸ REN P00797 1/20 0.54
▸ CTRB1 P17538 1/20 0.51
▸ ELANE P08246 1/20 0.51
▸ CTSK P43235 6/20 0.49
▸ PSMB9 P28065 2/20 0.48
▸ CTSL P07711 2/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CPA1 P15085 1/20 0.47
▸ CPA2 P48052 1/20 0.47
▸ CPA4 Q9UI42 1/20 0.47
▸ MMP2 P08253 2/20 0.47

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
SCHEMBL11765562 1.00 MMP3 (0.58) MMP3MMP1RENCTRB1ELANE
SCHEMBL30689118 0.89 KMT2A (0.51) MMP3MMP1RENCTRB1ELANE
SCHEMBL11459575 0.82 CTRB1 (0.61) CTRB1CTSKCTSL
SCHEMBL10706654 0.82 CTRB1 (0.61) CTRB1CTSKCTSL
SCHEMBL11781980 0.82 CTRB1 (0.63) CTRB1CTSKCTSL
SCHEMBL11759919 0.81 MMP3 (0.53) MMP3MMP1RENPSMB9CPA1
SCHEMBL11759925 0.81 MMP3 (0.53) MMP3MMP1RENPSMB9CPA1
SCHEMBL9700519 0.81 CMA1 (0.58) REN
SCHEMBL30689107 0.81 CTRB1 (0.51) RENCTRB1ELANE
SCHEMBL9700520 0.81 CMA1 (0.58) REN

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
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