SCHEMBL9621064

SCHEMBL9621064

COc1cc2c(cc1O)C=C(C(=O)N1CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC1)CCC2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.49
PKM P14618 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL10565148 0.96 POLB (0.55) POLBALDH1A1CYP1A2L3MBTL1GAA
SCHEMBL9620765 0.95 POLB (0.56) POLBALDH1A1CYP1A2L3MBTL1GAA
SCHEMBL9620863 0.92 POLB (0.58) POLBALDH1A1CYP1A2L3MBTL1GAA
Methyl Alcohol SCHEMBL9782201 0.91 POLB (0.57) POLBALDH1A1CYP1A2L3MBTL1GAA
SCHEMBL9620811 0.90 POLB (0.58) POLBALDH1A1CYP1A2L3MBTL1GAA
SCHEMBL9620806 0.90 POLB (0.58) POLBALDH1A1CYP1A2L3MBTL1GAA
SCHEMBL9620939 0.87 POLB (0.52) POLBALDH1A1CYP1A2L3MBTL1GAA
SCHEMBL9620842 0.86 ALDH1A1 (0.52) POLBALDH1A1CYP1A2L3MBTL1GAA
SCHEMBL9621255 0.85 POLB (0.61) POLBALDH1A1CYP1A2L3MBTL1GAA
SCHEMBL9620850 0.83 KMT2A (0.53) POLBALDH1A1CYP1A2L3MBTL1GAA

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
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed