SCHEMBL11045656

SCHEMBL11045656

COc1ccc(C(=O)C[C](C)C)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
GAA P10253 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TSHR P16473 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CTNNB1 P35222 2/20 0.61
WNT3A P56704 2/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
TPMT P51580 1/20 0.59

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
SCHEMBL1659363 0.91 MAPT (0.71) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL1322947 0.89 MAPT (0.61) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL7380780 0.86 MAPT (0.61) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL30629388 0.86 CA12 (0.65) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL4438295 0.86 CA12 (0.65) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL14660404 0.84 MAPT (0.60) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL10455919 0.83 CTNNB1 (0.83) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL11599111 0.83 MAPT (0.55) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL28881824 0.83 MEN1 (0.71) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL29668496 0.83 MEN1 (0.71) MAPTALDH1A1SMN1; SMN2GAAMEN1

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