SCHEMBL8559849

SCHEMBL8559849

N[C@@H](CC(Oc1ccc(-c2ccccc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.63
PPARA Q07869 12/20 0.63
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
SLC1A5 Q15758 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
SRR Q9GZT4 1/20 0.49
PSAT1 Q9Y617 1/20 0.49
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 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
SCHEMBL8559845 1.00 PPARG (0.63) PPARGPPARACYP1A2GAACYP2C9
SCHEMBL8564512 1.00 PPARG (0.63) PPARGPPARACYP1A2GAACYP2C9
SCHEMBL8559217 0.90 PPARG (0.53) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL8559220 0.90 PPARG (0.53) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL8561360 0.88 PPARG (0.49) PPARGPPARASLC1A5SLC1A3SLC1A2
SCHEMBL8561366 0.88 PPARG (0.49) PPARGPPARASLC1A5SLC1A3SLC1A2
SCHEMBL8561508 0.88 PPARG (0.63) PPARGPPARA
SCHEMBL8561497 0.88 PPARG (0.63) PPARGPPARA
SCHEMBL8595655 0.85 PPARG (0.68) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL8562657 0.85 PPARG (0.68) 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