SCHEMBL14845481

SCHEMBL14845481

COCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.51
▸ ITGB3 P05106 4/20 0.51
▸ ITGAV P06756 2/20 0.51
▸ ITGB1 P05556 1/20 0.51
▸ ITGA5 P08648 1/20 0.51
▸ ITGB5 P18084 1/20 0.51
▸ MC4R P32245 8/20 0.50
▸ MC5R P33032 8/20 0.50
▸ MC3R P41968 8/20 0.50
▸ MC1R Q01726 8/20 0.50
▸ KLKB1 P03952 1/20 0.50
▸ PLAU P00749 2/20 0.49
▸ CACNA1B Q00975 1/20 0.47
▸ ITGA2B P08514 2/20 0.46
▸ TSLP Q969D9 2/20 0.45

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
SCHEMBL15335358 0.96 CTSG (0.50) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL13656508 0.94 MC4R (0.51) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL13062248 0.94 TSLP (0.49) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL13014693 0.94 CTSG (0.55) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL16349774 0.94 MC4R (0.51) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL14962605 0.93 MC4R (0.54) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL14137295 0.93 CTSG (0.54) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL12361592 0.91 MC4R (0.51) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL12462669 0.91 GRB7 (0.54) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL20809943 0.91 GRB7 (0.54) CTSGITGB3ITGAVITGB1ITGA5

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-8415510-B2 Synthesis of a PEG-6 moiety from commercial low-cost chemicals GE HEALTHCARE LIMITED (GB) 2013-04-09 — — US disclosed
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