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SCHEMBL13955093

SCHEMBL13955093

CC(=O)NC(C)C(=O)NC1CSSCC(C=O)NC(=O)C(Cc2ccccc2)NC(=O)C2CSSCC(NC(=O)C(CC(=O)O)NC1=O)C(=O)NC(CCCN)C(=O)NCC(=O)NC(CC(=O)O)C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.46
▸ ITGA2B P08514 2/20 0.46
▸ OPRM1 P35372 5/20 0.46
▸ OPRD1 P41143 5/20 0.46
▸ ITGAV P06756 7/20 0.46
▸ OPRK1 P41145 3/20 0.46
▸ CTSG P08311 1/20 0.44
▸ ITGB5 P18084 3/20 0.44
▸ TSLP Q969D9 2/20 0.44
▸ EPHA2 P29317 1/20 0.44
▸ PLAU P00749 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
SCHEMBL13351721 0.76 CTSG (0.62) CTSGTSLPPLAU
SCHEMBL13319649 0.74 CTSG (0.69) CTSGTSLPPLAU
SCHEMBL12146083 0.71 TSLP (0.56) CTSGTSLPPLAU
SCHEMBL16130994 0.71 ITGB3 (0.57) ITGB3ITGA2BITGAVITGB5
SCHEMBL15188725 0.70 ITGB3 (0.59) ITGB3ITGAVCTSGITGB5PLAU
SCHEMBL14210733 0.70 ITGB3 (0.56) ITGB3ITGA2BITGAVCTSGITGB5
SCHEMBL7743709 0.70 ITGB3 (0.58) ITGB3ITGA2BITGAVITGB5
SCHEMBL9908255 0.70 MC4R (0.57) ITGB3ITGAVCTSGITGB5TSLP
SCHEMBL14004123 0.70 TSLP (0.57) CTSGTSLP
SCHEMBL13166793 0.69 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB5

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-20090053139-A1 Dendrimer based compositions and methods of using the same REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-02-26 — — US disclosed
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