SCHEMBL12504602

SCHEMBL12504602

CN(C(=O)OCc1ccccc1)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.54
▸ EPOR P19235 3/20 0.52
▸ ITGB3 P05106 5/20 0.46
▸ ITGA2B P08514 5/20 0.46
▸ ABCB1 P08183 2/20 0.46
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CPB1 P15086 1/20 0.43
▸ CPB2 Q96IY4 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ ALDH1A1 P00352 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
SCHEMBL6372179 0.88 FOLH1 (0.55) FOLH1EPORITGB3ITGA2BABCB1
SCHEMBL25186538 0.88 FOLH1 (0.55) FOLH1ITGB3ITGA2BABCB1CTSL
SCHEMBL6372172 0.88 FOLH1 (0.55) FOLH1EPORITGB3ITGA2BABCB1
SCHEMBL25177906 0.87 FOLH1 (0.54) FOLH1ITGB3ITGA2BABCB1CTSL
SCHEMBL3776750 0.87 EPOR (0.51) FOLH1EPORITGB3ITGA2BCPB1
SCHEMBL22804052 0.87 EPOR (0.51) FOLH1EPORITGB3ITGA2BCPB1
SCHEMBL1491987 0.87 EPOR (0.51) FOLH1EPORITGB3ITGA2BCPB1
SCHEMBL16446175 0.87 FOLH1 (0.53) FOLH1ITGB3ITGA2BABCB1CTSL
SCHEMBL8213617 0.86 EPOR (0.50) FOLH1EPORITGB3ITGA2BCPB1
SCHEMBL8213619 0.86 EPOR (0.50) FOLH1EPORITGB3ITGA2BCPB1

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
WO-2012092629-A2 METHODS, CELLS, AND SYSTEMS FOR INCORPORATING NON-CANONICAL AMINO ACIDS INTO PROTEINS WATERSTONE PHARMACEUTICALS (CN) 2012-07-05 — — WO claimed
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