SCHEMBL7362413

SCHEMBL7362413

COc1ccc(OC)c(C(CCC(=O)O)C2CC2C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.42
ADRA2A P08913 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2D6 P10635 1/20 0.39
ADRB2 P07550 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
SCHEMBL7368286 0.85 LMNA (0.43) HSD17B10NPSR1CA1CA2CA9
SCHEMBL7360789 0.83 PDE4B (0.41) MEN1KMT2ANPSR1
SCHEMBL7369266 0.81 KDM4E (0.38) HSD17B10MEN1KMT2ANPSR1CA1
SCHEMBL7362964 0.80 FFAR1 (0.45) LMNAPOLB
SCHEMBL7365442 0.76 FFAR4 (0.40) CYP1A2FFAR4
SCHEMBL7363863 0.75 CNR2 (0.36) MEN1KMT2AGAACYP1A2TSHR
SCHEMBL7367783 0.73 HTT (0.37) MAPK1FFAR4
SCHEMBL7363033 0.73 ALDH1A1 (0.36) MEN1KMT2ACYP1A2TSHRCYP2C19
SCHEMBL7362412 0.72 HSD17B10 (0.48) ADRA1AHSD17B10MEN1KMT2ANPSR1
SCHEMBL7368272 0.71 CYP2C19 (0.41) CYP1A2TSHRCYP2C19CYP2D6

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