SCHEMBL7361098

SCHEMBL7361098

O=C(O)CCC(c1ccc(Cl)cc1Cl)C1CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
NOTUM Q6P988 1/20 0.36
EEF2K O00418 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.34
CYP2C19 P33261 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL7363033 0.84 ALDH1A1 (0.36) NOTUMFFAR1CYP2C19CACNA1GCACNA2D1
SCHEMBL7399249 0.82 GABBR2 (0.39) FFAR1CYP2C19
SCHEMBL7367783 0.77 HTT (0.37) MAPK1FFAR1
SCHEMBL7363863 0.74 CNR2 (0.36) CYP2C19
SCHEMBL7401588 0.72 NAALAD2 (0.42) FFAR1CYP2C19
SCHEMBL7368272 0.72 CYP2C19 (0.41) TDP1CYP2C19
SCHEMBL7366777 0.71 HSD11B1 (0.42) CACNA1B
SCHEMBL7361675 0.71 CA1 (0.41) FFAR1
SCHEMBL7396691 0.71 TSHR (0.36) FFAR1CYP2C19
SCHEMBL7364668 0.71 ANPEP (0.37) TDP1FFAR1CYP2C19

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