SCHEMBL7347987

SCHEMBL7347987

COc1cc(C(=O)N2CCN(CC(=O)Cl)CC2)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.64
▸ ALDH1A1 P00352 6/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ GAA P10253 2/20 0.60
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PKM P14618 1/20 0.55

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
SCHEMBL10334481 0.85 POLB (0.84) POLBALDH1A1CYP1A2KDM4EL3MBTL1
SCHEMBL10914671 0.85 ALDH1A1 (0.64) POLBALDH1A1KDM4EL3MBTL1GAA
SCHEMBL10447618 0.85 ALDH1A1 (0.70) POLBALDH1A1CYP1A2KDM4EL3MBTL1
SCHEMBL11025208 0.84 POLB (0.68) POLBALDH1A1CYP1A2KDM4EL3MBTL1
SCHEMBL15303789 0.82 KDM4E (0.83) POLBALDH1A1CYP1A2KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL10334554 0.81 KDM4E (0.81) POLBALDH1A1CYP1A2KDM4EL3MBTL1
SCHEMBL11847732 0.81 KDM4E (0.76) POLBALDH1A1CYP1A2KDM4EL3MBTL1
SCHEMBL14076355 0.80 POLB (0.97) POLBALDH1A1CYP1A2KDM4EL3MBTL1
SCHEMBL27535462 0.79 POLB (0.74) POLBALDH1A1CYP1A2KDM4EL3MBTL1
Propionic Acid SCHEMBL9781843 0.79 POLB (0.65) POLBALDH1A1CYP1A2KDM4EL3MBTL1

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