SCHEMBL7399249

SCHEMBL7399249

O=C(O)CCC(c1ccc(Cl)cc1)C1CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.39
GABBR1 Q9UBS5 3/20 0.39
CYP2C9 P11712 3/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD3 P35462 1/20 0.39
BLM P54132 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A9 P48067 2/20 0.39
HSD11B1 P28845 1/20 0.38
HSD17B10 Q99714 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL7401588 0.87 NAALAD2 (0.42) CYP2C9LMNACYP2C19MEN1KMT2A
SCHEMBL7366777 0.85 HSD11B1 (0.42) MEN1KMT2ACYP1A2HSD11B1
SCHEMBL7396691 0.85 TSHR (0.36) CYP2C9LMNACYP2C19MEN1KMT2A
SCHEMBL7364668 0.85 ANPEP (0.37) CYP2C9LMNACYP2C19MEN1KMT2A
SCHEMBL7361675 0.85 CA1 (0.41) KMT2ACYP1A2SLC6A9HSD11B1RAB9A
SCHEMBL7361098 0.82 MAPK1 (0.37) CYP2C19FFAR1
SCHEMBL7360108 0.80 GPR88 (0.42) CYP2C9CYP2C19CYP3A4CYP1A2TSHR
SCHEMBL7363033 0.79 ALDH1A1 (0.36) CYP2D6CYP2C19MEN1KMT2ACYP1A2
SCHEMBL7367347 0.79 GRM2 (0.37) CYP2C9LMNACYP2C19MEN1KMT2A
SCHEMBL7364859 0.77 ANPEP (0.43) CYP1A2

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