SCHEMBL11197839

SCHEMBL11197839

CCC(=O)Oc1ccccc1CC[C]=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ELANE P08246 1/20 0.40
ALOX15 P16050 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 1/20 0.37
HIF1A Q16665 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARD Q03181 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
SCHEMBL8573202 0.82 THRA (0.46) THRATHRBELANEALOX15MTNR1A
SCHEMBL1019194 0.81 ELANE (0.47) THRATHRBELANEALOX15L3MBTL1
SCHEMBL11200666 0.81 THRA (0.48) THRATHRBELANEALOX15MTNR1A
SCHEMBL1789816 0.81 THRA (0.58) THRATHRBELANEKDM4EMEN1
SCHEMBL30399402 0.81 THRA (0.58) THRATHRBELANEKDM4EMEN1
SCHEMBL10670224 0.78 EPHX1 (0.48) THRATHRBELANEALOX15L3MBTL1
SCHEMBL11147730 0.78 THRA (0.68) THRATHRBKDM4EMEN1RECQL
SCHEMBL11197843 0.78 THRA (0.46) THRATHRBELANEALOX15MTNR1A
SCHEMBL31505146 0.78 THRA (0.68) THRATHRBKDM4EMEN1RECQL
SCHEMBL8435546 0.77 ALOX15 (0.55) ELANEALOX15L3MBTL1ESR1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed