SCHEMBL7360104

SCHEMBL7360104

O=C(O)C(CCc1ccc2ccccc2c1)C1CC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
SOX18 P35713 1/20 0.42
SLC13A5 Q86YT5 1/20 0.40
PDPK1 O15530 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL7401586 0.80 SLC7A5 (0.38) CYP1A2SLC1A2
SCHEMBL7400111 0.80 GRM2 (0.52) CYP1A2
SCHEMBL7364857 0.80 GRM2 (0.52)
SCHEMBL7365726 0.80 GRK2 (0.40) CYP1A2
SCHEMBL7368270 0.80 GRM2 (0.52) CYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL7362960 0.79 GRM2 (0.55) CYP1A2HDAC1
SCHEMBL7399248 0.79 HSD17B10 (0.45) SLC1A2
SCHEMBL7396689 0.79 KMT2A (0.37) CYP1A2PDPK1SLC1A2
SCHEMBL7361669 0.79 SMN1; SMN2 (0.42) SLC1A2
SCHEMBL7364664 0.79 RARB (0.38) SLC1A2

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 3 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 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