SCHEMBL7361093

SCHEMBL7361093

O=C(O)C(CCc1ccc(Cl)cc1Cl)C1CC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ACLY P53396 9/20 0.41
S1PR1 P21453 1/20 0.39
LTK P29376 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
S1PR5 Q9H228 1/20 0.39
PDPK1 O15530 1/20 0.39
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL7363028 0.84 SLC6A2 (0.41)
SCHEMBL7399248 0.81 HSD17B10 (0.45) S1PR5
SCHEMBL7367779 0.77 CPA1 (0.37)
SCHEMBL7367030 0.74 PTGER1 (0.42) TDP1S1PR1S1PR5HPGD
SCHEMBL7363860 0.74 PTGER1 (0.42)
SCHEMBL7366774 0.73 GRM2 (0.48)
SCHEMBL7368270 0.72 GRM2 (0.52) TDP1S1PR5
SCHEMBL7401586 0.71 SLC7A5 (0.38)
SCHEMBL7368285 0.71 PTGFR (0.45)
SCHEMBL7362412 0.71 HSD17B10 (0.48)

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