SCHEMBL9562940

SCHEMBL9562940

N[C@@H](CCC(=O)Nc1ccc(C(=O)O)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.73
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
GRM6 O15303 1/20 0.49
GRM4 Q14833 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL10436128 0.88 LTA4H (0.69) LTA4HGRM4
SCHEMBL24032787 0.86 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL3192017 0.86 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL3503714 0.86 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL3503717 0.86 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL29398310 0.86 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL10436152 0.85 LTA4H (0.66) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL176813 0.85 LTA4H (0.91) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL2522620 0.85 LTA4H (0.91) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL20238889 0.84 LTA4H (1.00) LTA4HSLC1A3SLC1A2SLC1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62171700-A None JP disclosed
US-5229274-A DNA code sequence, deacylation MERCK & CO., INC. (US) 1993-07-20 US disclosed
US-5104800-A A bacillus megaterium culture product; cleavage of the aminoadipoyl side chain MERCK & CO., INC. (US) 1992-04-14 US disclosed
EP-0405846-A1 One-step cephalosporin C amidase enzyme, a gene encoding the same, and expression thereof in a suitable host MERCK & CO. INC. (US) 1991-01-02 EP disclosed
JP-S62171700-A SUBSTRATE FOR DETERMINATION GAMMA-GLUTAMYLTANSPEPTIDASE SHINOTESUTO KENKYUSHO:KK 1987-07-28 JP disclosed