SCHEMBL9601730

SCHEMBL9601730

CCCCOC(=O)c1cc(OC)c2c(c1-c1c(CO)cc(OC)c3c1OCO3)OCO2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9602401 0.88 HSD17B10 (0.40) GAAMAPTALDH1A1CYP3A4MAPK1
Bicyclol SCHEMBL9600725 0.84 TARBP2 (0.43) KMT2AMEN1HTTALDH1A1CYP3A4
SCHEMBL9603034 0.80 CYP3A4 (0.43) KMT2AMEN1MAPTALDH1A1CYP3A4
SCHEMBL9602591 0.79 TARBP2 (0.37) TDP1GAAMAPTALDH1A1MAPK1
Bifendate SCHEMBL896166 0.76 TARBP2 (0.48) KMT2AMEN1HTTALDH1A1CYP3A4
SCHEMBL9327972 0.75 LMNA (0.42) KMT2ATSHRL3MBTL1MEN1MAPT
Bifendate SCHEMBL6318235 0.75 RXFP1 (0.42) KMT2ATSHRTDP1MEN1GAA
SCHEMBL23438996 0.75 TARBP2 (0.41) KMT2ATSHRMEN1GAAMAPT
SCHEMBL9328127 0.75 NPSR1 (0.41) KMT2AMEN1GAAMAPTCYP3A4
SCHEMBL9329585 0.74 LMNA (0.39) KMT2ATSHRTDP1L3MBTL1MEN1

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-0353358-B1 BIS(METHYLENEDIOXY)BIPHENYL COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-08-18 EP disclosed
EP-0353358-A1 Bis(methylenedioxy)biphenyl compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-02-07 EP disclosed
US-4868207-A Bis (methylenedioxy) biphenyl compounds useful for the treatment of liver diseases TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-09-19 US disclosed