SCHEMBL7362964

SCHEMBL7362964

COc1cccc(C(CCC(=O)O)C2CC2C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.45
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
POLB P06746 1/20 0.40
RORC P51449 1/20 0.40
PTGFR P43088 1/20 0.40

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
SCHEMBL7360789 0.86 PDE4B (0.41) FFAR1L3MBTL1PTGFR
SCHEMBL7400114 0.84 SLC6A9 (0.41) FFAR1GRM2GRM3LMNATDP1
SCHEMBL7364859 0.81 ANPEP (0.43) GRM2GRM3
SCHEMBL7365727 0.81 SLC6A9 (0.41) FFAR1L3MBTL1GRM2GRM3LMNA
SCHEMBL7362413 0.80 ADRA1A (0.42) LMNAPOLB
SCHEMBL7361675 0.77 CA1 (0.41) FFAR1L3MBTL1PTGFR
SCHEMBL7368286 0.77 LMNA (0.43) FFAR1L3MBTL1LMNAPOLBRORC
SCHEMBL7369266 0.75 KDM4E (0.38) L3MBTL1LMNAPOLB
SCHEMBL11436414 0.75 L3MBTL1 (0.62) MTNR1AMTNR1BL3MBTL1GRIN2BLMNA
SCHEMBL6301200 0.75 MTNR1A (0.67) MTNR1AMTNR1BL3MBTL1LMNATDP1

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
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP claimed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP claimed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO claimed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed