SCHEMBL8559285

SCHEMBL8559285

N[C@@H](CC(Oc1ccc2cc(Br)ccc2c1Br)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 5/20 0.47
RXFP1 Q9HBX9 5/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 4/20 0.41
PTPN1 P18031 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
PPARA Q07869 1/20 0.34

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
SCHEMBL8559281 1.00 NCEH1 (0.47) NCEH1RXFP1KMT2ALMNAPTPN1
SCHEMBL8557407 0.82 PPARG (0.47) NCEH1LMNAPTPN1SMN1; SMN2L3MBTL1
SCHEMBL8560324 0.82 PPARG (0.47) NCEH1LMNAPTPN1SMN1; SMN2L3MBTL1
SCHEMBL8557408 0.82 PPARG (0.47) NCEH1LMNAPTPN1SMN1; SMN2L3MBTL1
SCHEMBL9241012 0.77 NCEH1 (0.46) NCEH1RXFP1KMT2ALMNAPTPN1
SCHEMBL9241022 0.77 NCEH1 (0.46) NCEH1RXFP1KMT2ALMNAPTPN1
SCHEMBL8564030 0.69 GRIK1 (0.48) KMT2ALMNAKDM4ESLC1A3SLC1A2
SCHEMBL8564033 0.69 GRIK1 (0.48) KMT2ALMNAKDM4ESLC1A3SLC1A2
SCHEMBL8559718 0.68 PPARG (0.64) KMT2APTPN1SLC1A3SLC1A2SLC1A1
SCHEMBL8564894 0.68 PPARG (0.64) KMT2APTPN1SLC1A3SLC1A2SLC1A1

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