SCHEMBL8976880

SCHEMBL8976880

C=CCOC(=O)c1c(OC)cc2c(OC)c3c(OC)cc(C4O[C@H](COCc5ccccc5)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)c(OC)c3c(OC)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.37
PTPN1 P18031 12/20 0.35
PTPN2 P17706 6/20 0.34
NT5E P21589 1/20 0.34
CDC25B P30305 7/20 0.33
PTPN11 Q06124 5/20 0.33
PTPN6 P29350 4/20 0.33
BCHE P06276 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL8976884 1.00 TACR2 (0.37) TACR2PTPN1PTPN2NT5ECDC25B
SCHEMBL8976322 0.89 TACR2 (0.38) TACR2PTPN1PTPN2NT5ECDC25B
SCHEMBL8976333 0.89 TACR2 (0.38) TACR2PTPN1PTPN2NT5ECDC25B
SCHEMBL8976163 0.75 TACR2 (0.39) TACR2PTPN1PTPN2NT5ECDC25B
SCHEMBL8976463 0.73 KDM4E (0.40)
SCHEMBL2129836 0.67 PTPN1 (0.41) TACR2PTPN1PTPN2NT5ECDC25B
SCHEMBL2581948 0.66 PTPN1 (0.51) TACR2PTPN1PTPN2NT5ECDC25B
SCHEMBL673932 0.66 SSTR1 (0.45) TACR2PTPN1PTPN2NT5ECDC25B
SCHEMBL2132782 0.66 SSTR1 (0.42) TACR2PTPN1PTPN2NT5ECDC25B
SCHEMBL5270130 0.66 NT5E (0.48) TACR2PTPN1PTPN2NT5ECDC25B

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 claimed
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