SCHEMBL9236830

SCHEMBL9236830

Cc1ccc(OC(CC(=O)O)[C@H](N)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
FFAR1 O14842 3/20 0.42
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PARP10 Q53GL7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NLRP1 Q9C000 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 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
SCHEMBL9236828 1.00 PPARG (0.43) PPARGPPARAL3MBTL1FFAR1SLC1A3
SCHEMBL9241984 0.88 PPARG (0.47) PPARGPPARAFFAR1SLC1A3SLC1A2
SCHEMBL9241640 0.85 KMT2A (0.44) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL9241636 0.85 KMT2A (0.44) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL9238609 0.85 KMT2A (0.47) L3MBTL1FFAR1KMT2AMEN1CYP2D6
SCHEMBL9238607 0.85 KMT2A (0.47) L3MBTL1FFAR1KMT2AMEN1CYP2D6
SCHEMBL9237130 0.83 CYP1A2 (0.51) PPARGPPARAFFAR1SLC1A3SLC1A2
SCHEMBL9238852 0.83 PPARG (0.50) PPARGPPARAFFAR1KMT2APARP10
SCHEMBL9237136 0.83 CYP1A2 (0.51) PPARGPPARAFFAR1SLC1A3SLC1A2
SCHEMBL9238843 0.83 PPARG (0.50) PPARGPPARAFFAR1KMT2APARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1108240-A Excitatory amino acid receptor antagonists LILLY CO ELI (US) 1995-09-13 CN claimed
EP-0658539-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1995-06-21 EP claimed
JP-7267908-A None JP disclosed
JP-H07267908-A EXCITATORY AMINO ACID RECEPTOR ANTAGONIST ELI LILLY & CO 1995-10-17 JP disclosed
CN-1108240-A Excitatory amino acid receptor antagonists LILLY CO ELI (US) 1995-09-13 CN disclosed
EP-0658539-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1995-06-21 EP disclosed