SCHEMBL11047719

SCHEMBL11047719

CCOc1ccc(C[C]=O)c(OCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
NQO1 P15559 1/20 0.43
MAPT P10636 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
BRCA1 P38398 1/20 0.40
HBB P68871 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CYP1A2 P05177 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 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
SCHEMBL13990807 0.83 KDM4E (0.56) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL7674855 0.80 KDM4E (0.53) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL5252024 0.80 NQO1 (0.52) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL4618673 0.77 KDM4E (0.53) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL6784748 0.77 KDM4E (0.53) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL910695 0.77 L3MBTL1 (0.59) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL16770699 0.77 KDM4E (0.49) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL1682636 0.76 KDM4E (0.49) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL7273575 0.75 KDM4E (0.51) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL910978 0.75 APLNR (0.58) MAPTHSD17B10MEN1KMT2AALDH1A1

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
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed