SCHEMBL9602591

SCHEMBL9602591

CCCOc1cc(CO)c(-c2c(C(=O)OC)cc(OCCC)c3c2OCO3)c2c1OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
Bicyclol SCHEMBL9600725 0.86 TARBP2 (0.43) TARBP2HSD17B10HPGDKDM4EALDH1A1
Bicyclol SCHEMBL29380248 0.86 TARBP2 (0.43) TARBP2HSD17B10HPGDKDM4EALDH1A1
SCHEMBL9601730 0.79 KMT2A (0.45) TDP1ALDH1A1GAAMAPK1MAPT
SCHEMBL9602401 0.78 HSD17B10 (0.40) HSD17B10ALDH1A1GAAMAPK1MAPT
Bifendate SCHEMBL30788692 0.78 TARBP2 (0.48) TARBP2HSD17B10HPGDKDM4EALDH1A1
Bifendate SCHEMBL896166 0.78 TARBP2 (0.48) TARBP2HSD17B10HPGDKDM4EALDH1A1
Bifendate SCHEMBL29516235 0.78 TARBP2 (0.48) TARBP2HSD17B10HPGDKDM4EALDH1A1
SCHEMBL23438996 0.77 TARBP2 (0.41) TARBP2HSD17B10HPGDKDM4EALDH1A1
SCHEMBL21600700 0.76 TARBP2 (0.41) TARBP2HSD17B10HPGDKDM4EALDH1A1
SCHEMBL9603034 0.75 CYP3A4 (0.43) KDM4EALDH1A1SMN1; SMN2MAPT

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