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SCHEMBL17253126

SCHEMBL17253126

C[C@H](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](CCCNC(=O)OCC2c3ccccc3-c3ccc(S(=O)(=O)O)cc32)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)C(N)Cc2c[nH]c3ccccc23)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.68
▸ DRD1 P21728 1/20 0.68
▸ PTGS1 P23219 1/20 0.68
▸ PDE4A P27815 1/20 0.68
▸ EPHA2 P29317 2/20 0.36
▸ F11 P03951 1/20 0.35
▸ PRLHR P49683 2/20 0.35
▸ TSLP Q969D9 4/20 0.34
▸ NPR1 P16066 1/20 0.34
▸ NPR3 P17342 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KCNMA1 Q12791 1/20 0.34
▸ KCNMB4 Q86W47 1/20 0.34
▸ KLKB1 P03952 2/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ ITGA5 P08648 1/20 0.34
▸ ITGB6 P18564 1/20 0.34
▸ ITGB8 P26012 1/20 0.34

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
SCHEMBL17253340 1.00 CTSL (0.68) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL17253125 0.97 CTSL (0.68) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL17253267 0.96 CTSL (0.63) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL17253131 0.94 CTSL (0.79) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227168 0.89 CTSL (0.74) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8221784 0.89 CTSL (0.80) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL15177399 0.89 CTSL (0.74) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8226972 0.87 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230288 0.87 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8354268 0.87 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
WO-2015172047-A1 CYCLIC PEPTIDE COMPOUNDS AND RELATED METHODS, SALTS AND COMPOSITIONS MERCK SHARP & DOHME CORP. (US) 2015-11-12 — — WO disclosed
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