SCHEMBL8564894

SCHEMBL8564894

N[C@@H](C[C@H](Oc1ccc2ccccc2c1)C(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.64
PPARA Q07869 11/20 0.64
GRIK1 P39086 1/20 0.53
GRIK2 Q13002 1/20 0.53
GRIK3 Q13003 1/20 0.53
SLC1A3 P43003 2/20 0.48
SLC1A2 P43004 2/20 0.48
SLC1A1 P43005 2/20 0.48
PTPN7 P35236 1/20 0.47
KIF11 P52732 1/20 0.46
PPARD Q03181 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL8559718 1.00 PPARG (0.64) PPARGPPARAGRIK1GRIK2GRIK3
SCHEMBL8560729 1.00 PPARG (0.64) PPARGPPARAGRIK1GRIK2GRIK3
SCHEMBL8559217 0.85 PPARG (0.53) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL8559220 0.85 PPARG (0.53) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL8557408 0.85 PPARG (0.47) PPARGPPARAGRIK1GRIK2GRIK3
SCHEMBL8560324 0.85 PPARG (0.47) PPARGPPARAGRIK1GRIK2GRIK3
SCHEMBL8557407 0.85 PPARG (0.47) PPARGPPARAGRIK1GRIK2GRIK3
SCHEMBL8564512 0.83 PPARG (0.63) PPARGPPARAGRIK1GRIK2SLC1A3
SCHEMBL8561497 0.83 PPARG (0.63) PPARGPPARA
SCHEMBL8561508 0.83 PPARG (0.63) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843997-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
US-5576323-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed