SCHEMBL16177741

SCHEMBL16177741

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.61
▸ ITGAV P06756 8/20 0.61
▸ ITGB1 P05556 2/20 0.61
▸ ITGA5 P08648 2/20 0.61
▸ ITGB5 P18084 4/20 0.60
▸ KEAP1 Q14145 1/20 0.54
▸ NFE2L2 Q16236 1/20 0.54
▸ MC4R P32245 7/20 0.51
▸ MC5R P33032 7/20 0.51
▸ MC3R P41968 7/20 0.51
▸ MC1R Q01726 7/20 0.51
▸ ITGA2B P08514 4/20 0.48

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
SCHEMBL14885782 1.00 ITGB3 (0.61) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL279121 0.93 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7744481 0.93 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL16188466 0.89 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL16177739 0.89 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL18970023 0.89 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14075705 0.88 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL22278847 0.88 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7743533 0.87 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL19605481 0.87 ITGB3 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9476883-B2 Cellular recognition conjugates and methods of use for the histological analysis of cancer tissue using MALDI-MS imaging GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-10-25 — — US disclosed
US-20140315220-A1 CELLULAR RECOGNITION CONJUGATES AND METHODS OF USE FOR THE HISTOLOGICAL ANALYSIS OF CANCER TISSUE USING MALDI-MS IMAGING GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-10-23 — — US disclosed
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