SCHEMBL9064439

SCHEMBL9064439

CSCC[C@H](NC(=O)c1cccc(CN)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.67
FNTB P49356 14/20 0.67
PGGT1B P53609 3/20 0.67
CA2 P00918 3/20 0.57
CA1 P00915 2/20 0.57
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL15601947 0.89 FNTA (0.66) FNTAFNTBPGGT1BCA2CA1
SCHEMBL8369448 0.88 FNTA (0.68) FNTAFNTBPGGT1BCA2CA1
SCHEMBL8369449 0.88 FNTA (0.68) FNTAFNTBPGGT1BCA2CA1
SCHEMBL1158033 0.83 CA2 (0.69) FNTAFNTBPGGT1BCA2CA1
SCHEMBL1158031 0.83 CA2 (0.69) FNTAFNTBPGGT1BCA2CA1
SCHEMBL9461939 0.83 CA2 (0.69) FNTAFNTBPGGT1BCA2CA1
SCHEMBL28634860 0.82 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL6646636 0.82 CA2 (0.67) FNTAFNTBPGGT1BCA2CA1
Water SCHEMBL28867161 0.82 CA2 (0.67) FNTAFNTBPGGT1BCA2CA1
Lithium SCHEMBL6646645 0.82 CA2 (0.67) FNTAFNTBPGGT1BCA2CA1

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-1996019484-A1 NOVEL CARBOXAMIDE-DERIVED PHOSPHONATES, METHOD FOR MAKING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID PHOSPHONATES PIERRE FABRE MEDICAMENT (FR) 1996-06-27 WO disclosed