SCHEMBL6136290

SCHEMBL6136290

CSCC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.60
FNTB P49356 5/20 0.60
PGGT1B P53609 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.50
LTA4H P09960 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 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
SCHEMBL6136285 1.00 FNTA (0.60) FNTAFNTBPGGT1BSMN1; SMN2HTT
SCHEMBL6136282 1.00 FNTA (0.60) FNTAFNTBPGGT1BSMN1; SMN2HTT
SCHEMBL4421025 0.87 ALDH1A1 (0.49) FNTAFNTBPGGT1BSMN1; SMN2HTT
SCHEMBL4421021 0.87 ALDH1A1 (0.49) FNTAFNTBPGGT1BSMN1; SMN2HTT
SCHEMBL4419164 0.85 ALDH1A1 (0.48) FNTAFNTBPGGT1BSMN1; SMN2HTT
SCHEMBL6136442 0.85 ALDH1A1 (0.48) FNTAFNTBPGGT1BSMN1; SMN2HTT
SCHEMBL20514959 0.85 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL20514958 0.85 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL6136662 0.84 SMN1; SMN2 (0.60) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1
SCHEMBL6136656 0.84 SMN1; SMN2 (0.60) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1

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-0951464-B1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-05-11 EP claimed