SCHEMBL7348497

SCHEMBL7348497

CC(C)(C)Oc1cccc(CC=CC=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
CMA1 P23946 1/20 0.39
PPARA Q07869 4/20 0.38
PPARG P37231 3/20 0.38
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCND1 P24385 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
CETP P11597 1/20 0.36
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
VNN1 O95497 1/20 0.32
EPOR P19235 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL6201718 0.81 PPARA (0.37) CHRM2CHRM1CHRM3CMA1PPARA
SCHEMBL7348489 0.81 PPARA (0.38) CHRM2CHRM1CHRM3CMA1PPARA
SCHEMBL7348493 0.81 PPARA (0.38) CHRM2CHRM1CHRM3CMA1PPARA
SCHEMBL7296943 0.80 CHRM2 (0.52) CHRM2CHRM1CHRM3PPARACCNB2
SCHEMBL9167107 0.78 KMT2A (0.47) CHRM2CHRM1CHRM3CCNB2CDK1
SCHEMBL8638304 0.78 ALDH1A1 (0.42) CHRM2CHRM1CHRM3CMA1PPARA
SCHEMBL8048535 0.75 CHRM2 (0.43) CHRM2CHRM1CHRM3CMA1PPARA
SCHEMBL1348922 0.74 IDO1 (0.47) IDO1MAOAMAOBMEN1KMT2A
SCHEMBL30753807 0.74 IDO1 (0.47) IDO1MAOAMAOBMEN1KMT2A
SCHEMBL9621500 0.73 KDM4E (0.45) CHRM2CHRM1CHRM3CMA1PPARA

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