SCHEMBL7782888

SCHEMBL7782888

N[C@@H](CC(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
SLC1A3 P43003 4/20 0.46
SLC1A1 P43005 4/20 0.46
SLC1A2 P43004 3/20 0.46
GRM2 Q14416 1/20 0.46
GRM3 Q14832 1/20 0.46
CYP19A1 P11511 1/20 0.45
LTA4H P09960 2/20 0.44
GRIK1 P39086 3/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
KIF11 P52732 3/20 0.42
GRIK2 Q13002 1/20 0.42

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
SCHEMBL7709512 0.87 ATM (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8421334 0.87 PRSS1 (0.45) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27840105 0.84 GRIK1 (0.51) SLC1A3SLC1A1SLC1A2LTA4HGRIK1
SCHEMBL27840103 0.84 GRIK1 (0.51) SLC1A3SLC1A1SLC1A2LTA4HGRIK1
SCHEMBL27684657 0.83 CYP19A1 (0.46) SLC1A3CYP19A1PRSS1PRSS2PRSS3
SCHEMBL61488 0.83 KIF11 (0.46) SLC1A3CYP19A1LTA4HKIF11
Hydrochloric Acid SCHEMBL14481950 0.83 GRIK1 (0.50) SLC1A3SLC1A1SLC1A2LTA4HGRIK1
Hydrochloric Acid SCHEMBL14481953 0.83 GRIK1 (0.50) SLC1A3SLC1A1SLC1A2LTA4HGRIK1
SCHEMBL1810781 0.82 LTA4H (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8064264 0.82 LTA4H (0.55) 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
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed