SCHEMBL14434157

SCHEMBL14434157

CCCCC1NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(C)Cc2c[nH]c3ccccc23)C(C)OC(=O)C(CC(=O)c2ccccc2N)NC(=O)C(C(C)CC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC1=O

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.85
▸ DRD1 P21728 1/20 0.85
▸ PTGS1 P23219 1/20 0.85
▸ PDE4A P27815 1/20 0.85
▸ EPHA2 P29317 4/20 0.40
▸ F2 P00734 1/20 0.38
▸ ITGB3 P05106 3/20 0.37
▸ ITGB1 P05556 3/20 0.37
▸ ITGAV P06756 3/20 0.37
▸ ITGA5 P08648 3/20 0.37
▸ ITGB6 P18564 3/20 0.37
▸ ITGB8 P26012 3/20 0.37
▸ NECTIN4 Q96NY8 2/20 0.37
▸ MC4R P32245 7/20 0.36
▸ MC5R P33032 7/20 0.36
▸ MC3R P41968 7/20 0.36
▸ MC1R Q01726 7/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ SHH Q15465 1/20 0.36

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
SCHEMBL13246717 0.96 CTSL (0.86) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8226898 0.96 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230275 0.96 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230288 0.96 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8226972 0.96 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227054 0.95 CTSL (0.85) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230311 0.94 CTSL (0.96) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8358323 0.94 CTSL (0.91) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8422141 0.93 CTSL (0.92) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8354268 0.92 CTSL (0.86) CTSLDRD1PTGS1PDE4AEPHA2

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-7262268-B2 Lipopeptide stereoisomers, methods for preparing same, and useful intermediates CUBIST PHARMACEUTICALS, INC. (US) 2007-08-28 — — US disclosed
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