SCHEMBL7340087

SCHEMBL7340087

CCCCCCOc1ccc(/C=C/CC[C]=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.47
▸ NR5A1 Q13285 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PLA2G4B P0C869 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ RARB P10826 3/20 0.43
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ CHRNA7 P36544 2/20 0.42
▸ CHRNA10 Q9GZZ6 2/20 0.42
▸ CHRNA9 Q9UGM1 2/20 0.42

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
SCHEMBL7340092 1.00 AHR (0.47) AHRNR5A1TP53TSHRPLA2G4B
SCHEMBL7293109 0.96 AHR (0.50) AHRTP53TSHRMAOAMAOB
SCHEMBL9244775 0.96 AHR (0.50) AHRTP53TSHRMAOAMAOB
SCHEMBL13464287 0.85 NR5A1 (0.54) AHRNR5A1TP53TSHRPLA2G4B
SCHEMBL7340097 0.83 AHR (0.49) AHRNR5A1TP53TSHRPLA2G4B
SCHEMBL8619129 0.82 AHR (0.48) AHRNR5A1TP53TSHRPLA2G4B
SCHEMBL8619126 0.82 AHR (0.48) AHRNR5A1TP53TSHRPLA2G4B
SCHEMBL6196538 0.81 AHR (0.50) AHRNR5A1TP53TSHRPLA2G4B
SCHEMBL6196533 0.81 AHR (0.50) AHRNR5A1TP53TSHRPLA2G4B
SCHEMBL2090761 0.81 AHR (0.53) AHRTP53TSHRMAOAMAOB

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
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