SCHEMBL8976457

SCHEMBL8976457

COC(=O)c1c(O)cc2c(c1C)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
KDM4E B2RXH2 5/20 0.55
HPGD P15428 4/20 0.55
USP2 O75604 3/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP3A4 P08684 6/20 0.44
ACHE P22303 1/20 0.44
PIM1 P11309 2/20 0.43
EGFR P00533 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
ITGA2 P17301 1/20 0.42
MAPK1 P28482 4/20 0.40
RECQL P46063 4/20 0.40

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
SCHEMBL31520279 0.87 KDM4E (0.46) MAPTMEN1KMT2AKDM4EHPGD
Aloesaponarin I SCHEMBL13317456 0.86 ITGA2 (0.57) MAPTMEN1KMT2AKDM4EHPGD
Aloesaponarin I SCHEMBL29657074 0.86 ITGA2 (0.57) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL8976204 0.83 MEN1 (0.49) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL16226748 0.83 CYP3A4 (0.55) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL16225976 0.80 EGFR (0.56) MEN1KMT2APIM1EGFRITGA2
SCHEMBL8976719 0.80 KDM4E (0.41) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL8976464 0.75 MAPT (0.46) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL13317458 0.75 SLC37A4 (0.58) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL19452223 0.75 EPHX2 (0.48) MAPTMEN1KMT2AKDM4EHPGD

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