SCHEMBL7294286

SCHEMBL7294286

CC(Oc1ccccc1C=O)C(=O)OC(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
KMT2A Q03164 4/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SRC P12931 1/20 0.39
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KLK7 P49862 2/20 0.36
MEN1 O00255 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
SCHEMBL28551757 0.88 HCAR2 (0.44) HCAR2KMT2AALDH1A1MAPTKLK7
SCHEMBL17508198 0.82 ADRA2A (0.55) HCAR2PTGDR2ADRA2AADRA2BADRA2C
SCHEMBL30110816 0.82 ADRA2A (0.55) HCAR2PTGDR2ADRA2AADRA2BADRA2C
SCHEMBL15058014 0.81 KMT2A (0.46) PTGDR2ADRA2AADRA2BADRA2CKMT2A
SCHEMBL8185048 0.81 KMT2A (0.62) PTGDR2ADRA2AADRA2BADRA2CKMT2A
SCHEMBL7294278 0.78 HCAR2 (0.42) HCAR2KMT2AGAAALDH1A1HPGD
SCHEMBL11338676 0.77 PTGDR2 (0.47) PTGDR2ADRA2AADRA2BADRA2CKMT2A
SCHEMBL2558383 0.76 KMT2A (0.47) PTGDR2ADRA2AADRA2BADRA2CKMT2A
SCHEMBL15331058 0.74 LMNA (0.50) PTGDR2ADRA2AADRA2BADRA2CKMT2A
SCHEMBL6304130 0.74 HCAR2 (0.50) HCAR2PTGDR2KMT2ALMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed