SCHEMBL11988715

SCHEMBL11988715

COCCOCCNC(=O)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC)NC(=O)[C@H](CCCCN)NC(=O)CS1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.47
▸ ITGAV P06756 6/20 0.47
▸ ITGB1 P05556 2/20 0.47
▸ ITGA5 P08648 2/20 0.47
▸ ITGB5 P18084 3/20 0.45
▸ MC4R P32245 12/20 0.44
▸ MC5R P33032 12/20 0.44
▸ MC3R P41968 12/20 0.44
▸ MC1R Q01726 12/20 0.44
▸ CACNA1B Q00975 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 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
SCHEMBL11988713 0.93 ITGB3 (0.50) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13532020 0.91 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14962599 0.89 ITGB3 (0.46) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL11988714 0.89 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL26200836 0.86 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL10046406 0.86 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL10046561 0.86 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL15335358 0.84 CTSG (0.50) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL9290489 0.84 MC4R (0.47) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13658001 0.83 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5ITGB5

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-8247534-B2 Synthesis of radiofluorinated peptide using microwave activation technology GE HEALTHCARE AS (NO) 2012-08-21 — — US disclosed
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