SCHEMBL8976322

SCHEMBL8976322

COc1cc2c(OC)c3c(OC)cc(C4O[C@H](COCc5ccccc5)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)c(OC)c3c(OC)c2c(C)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.38
PTPN1 P18031 12/20 0.37
PTPN2 P17706 6/20 0.37
PTPN11 Q06124 5/20 0.37
CDC25B P30305 7/20 0.36
PTPN6 P29350 4/20 0.36
NT5E P21589 1/20 0.36
BCHE P06276 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35

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
SCHEMBL8976333 1.00 TACR2 (0.38) TACR2PTPN1PTPN2PTPN11CDC25B
SCHEMBL8976880 0.89 TACR2 (0.37) TACR2PTPN1PTPN2PTPN11CDC25B
SCHEMBL8976884 0.89 TACR2 (0.37) TACR2PTPN1PTPN2PTPN11CDC25B
SCHEMBL8976163 0.74 TACR2 (0.39) TACR2PTPN1PTPN2PTPN11CDC25B
SCHEMBL2129836 0.71 PTPN1 (0.41) TACR2PTPN1PTPN2PTPN11CDC25B
SCHEMBL673932 0.71 SSTR1 (0.45) TACR2PTPN1PTPN2PTPN11CDC25B
SCHEMBL2132782 0.71 SSTR1 (0.42) TACR2PTPN1PTPN2PTPN11CDC25B
SCHEMBL5273546 0.70 NT5E (0.48) TACR2PTPN1PTPN2PTPN11CDC25B
SCHEMBL5271619 0.69 SSTR1 (0.44) TACR2PTPN1PTPN2PTPN11CDC25B
SCHEMBL2131116 0.69 PTPN1 (0.41) TACR2PTPN1PTPN2PTPN11CDC25B

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