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SCHEMBL14446808

SCHEMBL14446808

CC(CC(=O)O)[C@@H]1NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC=O)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC1=O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.86
▸ DRD1 P21728 1/20 0.86
▸ PTGS1 P23219 1/20 0.86
▸ PDE4A P27815 1/20 0.86
▸ EPHA2 P29317 4/20 0.39
▸ 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
▸ KEAP1 Q14145 1/20 0.37
▸ NECTIN4 Q96NY8 2/20 0.37
▸ F11 P03951 1/20 0.36
▸ KRAS P01116 1/20 0.36
▸ SHH Q15465 1/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 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
SCHEMBL14446065 1.00 CTSL (0.86) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446360 1.00 CTSL (0.86) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446707 0.96 CTSL (0.79) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL10157516 0.95 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL21250583 0.95 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8422213 0.95 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8420524 0.95 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227154 0.95 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8415773 0.95 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8221832 0.95 CTSL (0.88) 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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