SCHEMBL16188489

SCHEMBL16188489

CC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@@H]1NC(=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 16/20 0.48
▸ ITGB3 P05106 15/20 0.48
▸ ITGB1 P05556 2/20 0.48
▸ ITGA5 P08648 2/20 0.48
▸ ITGB5 P18084 10/20 0.47
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ ITGB8 P26012 3/20 0.45
▸ MC4R P32245 1/20 0.43
▸ MC5R P33032 1/20 0.43
▸ MC3R P41968 1/20 0.43
▸ MC1R Q01726 1/20 0.43
▸ ITGA2B P08514 2/20 0.41

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
SCHEMBL16188466 0.94 ITGB3 (0.48) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL16177741 0.83 ITGB3 (0.61) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL14885782 0.83 ITGB3 (0.61) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL18970023 0.81 ITGB3 (0.51) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL29726666 0.79 ITGB3 (0.54) ITGAVITGB3ITGB5ITGA2B
SCHEMBL22793231 0.79 ITGB3 (0.47) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL24253221 0.79 ITGB3 (0.49) ITGAVITGB3ITGB5ITGA2B
SCHEMBL16135323 0.77 ITGB3 (0.54) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL8321039 0.77 ITGB3 (0.56) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL29568996 0.76 ITGB3 (0.51) ITGAVITGB3ITGB5ITGA2B

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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