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SCHEMBL14387175

SCHEMBL14387175

CCOP(=O)(OCC)C(NC(=O)CCNC(=O)[C@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)P(=O)(OCC)OCC

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 3/20 0.70
▸ ENTPD1 P49961 1/20 0.69
▸ P2RY14 Q15391 8/20 0.52
▸ P2RY6 Q15077 6/20 0.44
▸ P2RY2 P41231 7/20 0.44
▸ P2RY4 P51582 3/20 0.44

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
SCHEMBL14383976 1.00 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13210985 1.00 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL3027286 1.00 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13210991 0.95 ENTPD2 (0.78) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL3025686 0.95 ENTPD2 (0.78) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL3014865 0.92 ENTPD2 (0.77) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13210984 0.92 ENTPD2 (0.77) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13210979 0.87 ENTPD2 (0.90) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13211037 0.86 ENTPD2 (0.74) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13210980 0.82 ENTPD2 (1.00) ENTPD2ENTPD1P2RY14P2RY6P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135195-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-29 — — WO disclosed