SCHEMBL10698881

SCHEMBL10698881

O=C(Cc1cccc(C(=O)O)c1)N[C@@H](CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.57
ANPEP P15144 2/20 0.54
ENPEP Q07075 2/20 0.54
FNTA P49354 4/20 0.47
FNTB P49356 4/20 0.47
PGGT1B P53609 3/20 0.47
MEP1B Q16820 3/20 0.46

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
SCHEMBL1499948 0.85 CNR2 (0.57) FNTAFNTB
SCHEMBL1499949 0.85 CNR2 (0.57) FNTAFNTB
SCHEMBL3448804 0.85 CNR2 (0.57) FNTAFNTB
SCHEMBL9657153 0.84 MEP1B (0.50) FOLH1ANPEPENPEPFNTAFNTB
SCHEMBL9654344 0.84 MEP1B (0.50) FOLH1ANPEPENPEPFNTAFNTB
Water SCHEMBL9837507 0.83 CNR2 (0.56) FNTAFNTB
SCHEMBL10700246 0.82 FOLH1 (0.43) FOLH1ANPEPENPEPFNTAFNTB
SCHEMBL9657167 0.81 ANPEP (0.50) FOLH1ANPEPENPEPFNTAFNTB
SCHEMBL9655951 0.81 FOLH1 (0.44) FOLH1ANPEPENPEPFNTAFNTB
SCHEMBL9655967 0.80 ANPEP (0.43) FOLH1ANPEPENPEPFNTAFNTB

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
EP-0260778-A1 Enzymatic process for B-Lactams THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1988-03-23 EP disclosed