SCHEMBL28290512

SCHEMBL28290512

CC(C)(C)OC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)N1CCN(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
TGM2 P21980 19/20 0.59
F13A1 P00488 2/20 0.58
TGM1 P22735 2/20 0.58
TGM6 O95932 1/20 0.58

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
SCHEMBL28290510 1.00 ITGB3 (0.61) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL21009799 0.89 ITGB3 (0.62) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL19707914 0.89 ITGB3 (0.62) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL13598866 0.88 ITGB3 (0.65) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL6766563 0.88 ITGB3 (0.65) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL2577379 0.86 ITGB3 (0.65) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL2577375 0.86 ITGB3 (0.65) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL3957692 0.86 TGM2 (0.63) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL2859559 0.85 DPP4 (0.66) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL2859552 0.85 DPP4 (0.66) ITGB3ITGA2BTGM2F13A1TGM1

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
CN-109563133-A POLYAMIDE COMPOUND AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-04-02 CN disclosed