SCHEMBL8562210

SCHEMBL8562210

N[C@@H](CC(Oc1ccc2oc3ccccc3c2c1)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
PTGER4 P35408 1/20 0.46
PTPN1 P18031 7/20 0.44
PTPRF P10586 1/20 0.43
PTPRA P18433 1/20 0.43
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ACSL1 P33121 2/20 0.43
ACSL6 Q9UKU0 2/20 0.43
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL8562218 1.00 LMNA (0.55) LMNAPTGER4PTPN1PTPRFPTPRA
SCHEMBL8557948 1.00 LMNA (0.55) LMNAPTGER4PTPN1PTPRFPTPRA
SCHEMBL13418750 0.80 PTPN1 (0.63) LMNAPTGER4PTPN1PTPRFPTPRA
SCHEMBL8559217 0.78 PPARG (0.53) SLC1A3SLC1A2SLC1A1
SCHEMBL8559220 0.78 PPARG (0.53) SLC1A3SLC1A2SLC1A1
SCHEMBL8564894 0.77 PPARG (0.64) PTPN1PTPN7MAPTSLC1A3SLC1A2
SCHEMBL8560729 0.77 PPARG (0.64) PTPN1PTPN7MAPTSLC1A3SLC1A2
SCHEMBL8559718 0.77 PPARG (0.64) PTPN1PTPN7MAPTSLC1A3SLC1A2
SCHEMBL9235405 0.77 LMNA (0.57) LMNAPTGER4MAPTALDH1A1ACSL1
SCHEMBL9235410 0.77 LMNA (0.57) LMNAPTGER4MAPTALDH1A1ACSL1

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 4 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
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