SCHEMBL29664208

SCHEMBL29664208

CC(C)[C@H](NCc1ccc(N)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.71
ITGA5 P08648 6/20 0.71
ITGB3 P05106 5/20 0.71
ITGAV P06756 5/20 0.71
MMP13 P45452 2/20 0.49
MAPK1 P28482 2/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ADAMTS4 O75173 1/20 0.43
MEP1B Q16820 2/20 0.43
EPHX2 P34913 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL14520629 0.85 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGAVMMP13
SCHEMBL12572489 0.85 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGAVMMP13
SCHEMBL29060375 0.84 ALDH1A1 (0.62) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL8065362 0.84 ALDH1A1 (0.62) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL8349459 0.84 ALDH1A1 (0.62) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL2011891 0.83 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVMMP13
SCHEMBL2440136 0.83 FPR2 (0.53) ITGB1ITGA5ITGB3ITGAVMMP13
SCHEMBL19581784 0.83 MAPK1 (0.68) ITGB1ITGA5ITGB3ITGAVMMP13
SCHEMBL2014415 0.83 FPR2 (0.53) ITGB1ITGA5ITGB3ITGAVMMP13
SCHEMBL19581783 0.83 MAPK1 (0.68) ITGB1ITGA5ITGB3ITGAVMMP13

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-114729366-A Extracellular vesicle-ASO constructs targeting CEBP/beta 科迪亚克生物科学公司 2022-07-08 CN disclosed