SCHEMBL7406142

SCHEMBL7406142

NC(Cc1c(OCC(=O)O)noc1-c1cccs1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.58
GRIA2 P42262 2/20 0.58
GRIA3 P42263 2/20 0.58
GRIA4 P48058 2/20 0.58
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIK4 Q16099 1/20 0.40
GRIK5 Q16478 1/20 0.40
HIF1A Q16665 1/20 0.40
BLM P54132 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL7406133 1.00 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7402024 0.89 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7402019 0.89 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7406309 0.89 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7406301 0.89 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7370266 0.85 SMN1; SMN2 (0.44) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL7374874 0.83 SMN1; SMN2 (0.41) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL7406293 0.82 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4HIF1A
SCHEMBL7406314 0.82 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4HIF1A
SCHEMBL7371185 0.82 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4GRIK1

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-0994107-A1 5-Arylisoxazol-4-yl-substituted 2-amino carboxylic acid compounds H. LUNDBECK A/S (DK) 2000-04-19 EP disclosed
EP-0726896-A1 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1996-08-21 EP disclosed
WO-1995012587-A1 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1995-05-11 WO disclosed