SCHEMBL7348489

SCHEMBL7348489

CC(C)(C)Oc1cccc(C/C=C/[C]=O)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.38
PPARG P37231 3/20 0.38
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CETP P11597 1/20 0.35
CMA1 P23946 1/20 0.35
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
EPOR P19235 3/20 0.34
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
TRPV1 Q8NER1 1/20 0.31
KIF11 P52732 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
DAO P14920 1/20 0.31
SOD1 P00441 1/20 0.31

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
SCHEMBL7348493 1.00 PPARA (0.38) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL7348497 0.81 CHRM2 (0.40) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL7296934 0.81 CHRM2 (0.48) PPARACHRM2CHRM1CHRM3SOD1
SCHEMBL7296937 0.81 CHRM2 (0.48) PPARACHRM2CHRM1CHRM3SOD1
SCHEMBL6201718 0.80 PPARA (0.37) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL9167101 0.78 KMT2A (0.46) PPARASOD1
SCHEMBL9167096 0.78 KMT2A (0.46) PPARASOD1
SCHEMBL8638304 0.76 ALDH1A1 (0.42) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL8048535 0.74 CHRM2 (0.43) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL7341715 0.74 RELA (0.40) CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4514401-A CARDIOTONICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-04-30 US disclosed
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