SCHEMBL7436847

SCHEMBL7436847

N[C@H](Cc1ccccc1)C(O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.62
PKM P14618 1/20 0.62
PTGS1 P23219 1/20 0.62
XIAP P98170 1/20 0.62
SLC7A5 Q01650 1/20 0.62
SLC15A1 P46059 2/20 0.57
LAP3 P28838 7/20 0.56
ANPEP P15144 2/20 0.56
RNPEP Q9H4A4 1/20 0.56
DNPEP Q9ULA0 1/20 0.56
SLC1A3 P43003 2/20 0.56
SLC1A2 P43004 2/20 0.56
SLC1A1 P43005 2/20 0.56
CYP1A2 P05177 1/20 0.55
LTA4H P09960 2/20 0.55
SRR Q9GZT4 2/20 0.52
EPHX1 P07099 1/20 0.50
CPA1 P15085 1/20 0.48
CPA3 P15088 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
SCHEMBL7415433 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL244193 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7698421 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5491058 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2201323 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2029167 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL650855 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3841332 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL1309497 0.98 ALPI (0.60) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL3688220 0.98 ALPI (0.60) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed