SCHEMBL8560324

SCHEMBL8560324

N[C@@H](C[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.47
PPARA Q07869 4/20 0.47
GRIK1 P39086 5/20 0.44
GRIK2 Q13002 5/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GRIK3 Q13003 1/20 0.42
NCEH1 Q6PIU2 1/20 0.42
LDHA P00338 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.37

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
SCHEMBL8557407 1.00 PPARG (0.47) PPARGPPARAGRIK1GRIK2LMNA
SCHEMBL8557408 1.00 PPARG (0.47) PPARGPPARAGRIK1GRIK2LMNA
SCHEMBL8560729 0.85 PPARG (0.64) PPARGPPARAGRIK1GRIK2GRIK3
SCHEMBL8559718 0.85 PPARG (0.64) PPARGPPARAGRIK1GRIK2GRIK3
SCHEMBL8564894 0.85 PPARG (0.64) PPARGPPARAGRIK1GRIK2GRIK3
SCHEMBL8559285 0.82 NCEH1 (0.47) PPARAGRIK1GRIK2LMNAL3MBTL1
SCHEMBL8559281 0.82 NCEH1 (0.47) PPARAGRIK1GRIK2LMNAL3MBTL1
SCHEMBL2224818 0.78 SMN1; SMN2 (0.57) PPARGPPARALMNAL3MBTL1NCEH1
SCHEMBL8559444 0.77 MRGPRX4 (0.45) PPARGPPARAGRIK1GRIK2GRIK3
SCHEMBL8559452 0.77 MRGPRX4 (0.45) PPARGPPARAGRIK1GRIK2GRIK3

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 claimed
US-5576323-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-11-19 US claimed