SCHEMBL8976163

SCHEMBL8976163

COc1cc2c(c(C)c1C(=O)OCc1ccccc1)C(=O)c1c(OC)c(C3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cc(OC)c1C2=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.39
NT5E P21589 1/20 0.37
PTPN1 P18031 12/20 0.37
PTPN2 P17706 6/20 0.36
CDC25B P30305 7/20 0.35
PTPN11 Q06124 5/20 0.35
PTPN6 P29350 4/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE7B Q9NP56 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
SCHEMBL8976225 0.77 PRKCZ (0.47) MEN1POLBKMT2A
SCHEMBL8976884 0.75 TACR2 (0.37) TACR2NT5EPTPN1PTPN2CDC25B
SCHEMBL8976880 0.75 TACR2 (0.37) TACR2NT5EPTPN1PTPN2CDC25B
SCHEMBL8976322 0.74 TACR2 (0.38) TACR2NT5EPTPN1PTPN2CDC25B
SCHEMBL8976333 0.74 TACR2 (0.38) TACR2NT5EPTPN1PTPN2CDC25B
SCHEMBL2129836 0.69 PTPN1 (0.41) TACR2NT5EPTPN1PTPN2CDC25B
SCHEMBL5271619 0.69 SSTR1 (0.44) TACR2NT5EPTPN1PTPN2CDC25B
SCHEMBL2581948 0.69 PTPN1 (0.51) TACR2NT5EPTPN1PTPN2CDC25B
SCHEMBL673932 0.69 SSTR1 (0.45) TACR2NT5EPTPN1PTPN2CDC25B
SCHEMBL2131116 0.69 PTPN1 (0.41) TACR2NT5EPTPN1PTPN2CDC25B

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-0602027-B1 SYNTHESIS OF CARMINIC ACID AND PRINCIPAL INTERMEDIATES EUROP COLOUR PLC (GB) 1996-03-27 EP 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