SCHEMBL16507705

SCHEMBL16507705

CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](N)[C@@H](c2ccccc2)NC(=O)C(CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@H](C)O)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 2/20 0.49
▸ PLAU P00749 1/20 0.48
▸ KDM4A O75164 1/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ KLKB1 P03952 2/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGB1 P05556 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ ITGA5 P08648 1/20 0.44
▸ ITGB5 P18084 1/20 0.44
▸ CTSG P08311 1/20 0.43
▸ ELANE P08246 4/20 0.42
▸ PSMB11 A5LHX3 1/20 0.42
▸ PSMA7 O14818 1/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ PSMA1 P25786 1/20 0.42
▸ PSMA2 P25787 1/20 0.42
▸ PSMA3 P25788 1/20 0.42
▸ PSMA4 P25789 1/20 0.42
▸ PSMB8 P28062 1/20 0.42

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
SCHEMBL12293625 0.97 NNMT (0.48) NNMTPLAUKDM4ACACNA1BKLKB1
SCHEMBL13724136 0.97 NNMT (0.48) NNMTPLAUKDM4ACACNA1BKLKB1
SCHEMBL13724891 0.96 NNMT (0.47) NNMTPLAUKDM4ACACNA1BKLKB1
SCHEMBL12293481 0.96 NNMT (0.47) NNMTPLAUKDM4ACACNA1BKLKB1
SCHEMBL13723864 0.96 NNMT (0.46) NNMTPLAUKDM4ACACNA1BKLKB1
SCHEMBL13724286 0.96 NNMT (0.46) NNMTPLAUKDM4ACACNA1BKLKB1
SCHEMBL13724709 0.95 PLAU (0.48) NNMTPLAUKDM4ACACNA1BKLKB1
SCHEMBL13722938 0.94 PLAU (0.50) NNMTPLAUKDM4ACACNA1BKLKB1
SCHEMBL13725054 0.94 NNMT (0.50) NNMTPLAUKDM4ACACNA1BKLKB1
SCHEMBL13724150 0.94 NNMT (0.50) NNMTPLAUKDM4ACACNA1BKLKB1

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-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 — — US disclosed
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 — — US disclosed
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