SCHEMBL8976115

SCHEMBL8976115

COC(=O)c1c(OC)cc2c(OC)c3c(OC)ccc(OC)c3c(OC)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
PDE3B Q13370 4/20 0.41
PDE3A Q14432 4/20 0.41
PDE1A P54750 4/20 0.41
PDE1B Q01064 4/20 0.41
PDE1C Q14123 4/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CISD2 Q8N5K1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
SLC10A2 Q12908 1/20 0.38
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL8952310 0.88 MAPT (0.47) MAPTALDH1A1L3MBTL1SLC10A2GAA
SCHEMBL8976409 0.87 KDM4E (0.42) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL8952390 0.87 CYP3A4 (0.46) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL8976463 0.82 KDM4E (0.40) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL8976444 0.81 PRKCZ (0.45) PDE3APDE1CL3MBTL1POLBMAPK1
SCHEMBL8952412 0.79 MAPT (0.41) CYP3A4MAPTKDM4EHPGDNPSR1
SCHEMBL8952344 0.77 MAPT (0.44) CYP3A4MAPTKDM4EPOLBSLC10A2
SCHEMBL9268778 0.77 KDM4E (0.36) CYP3A4MAPTKDM4EALDH1A1HPGD
SCHEMBL8952387 0.76 KDM4E (0.42) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL8952362 0.76 LMNA (0.47) CYP3A4MAPTKDM4EALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602027-B1 SYNTHESIS OF CARMINIC ACID AND PRINCIPAL INTERMEDIATES EUROP COLOUR PLC (GB) 1996-03-27 EP disclosed
US-5424421-A Synthesis of carminic acid and principal intermediates EUROPEAN COLOUR PLC (GB) 1995-06-13 US disclosed
EP-0602027-A1 SYNTHESIS OF CARMINIC ACID AND PRINCIPAL INTERMEDIATES. EUROP COLOUR PLC (GB) 1994-06-22 EP disclosed
WO-1992001664-A1 SYNTHESIS OF CARMINIC ACID AND PRINCIPAL INTERMEDIATES EUROPEAN COLOUR PLC (GB) 1992-02-06 WO disclosed