SCHEMBL5284532

SCHEMBL5284532

CCOP(=O)(Cc1ccc(NC(=O)CNC(=O)C(O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1)OCC

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENTPD2 Q9Y5L3 3/20 0.76
ENTPD1 P49961 1/20 0.67
P2RY6 Q15077 7/20 0.41
P2RY2 P41231 7/20 0.40
P2RY4 P51582 3/20 0.40
P2RY14 Q15391 3/20 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
SCHEMBL5277178 0.92 ENTPD2 (0.68) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL14384565 0.86 ENTPD2 (1.00) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL13210969 0.86 ENTPD2 (1.00) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL14384425 0.81 ENTPD2 (0.85) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL13210968 0.81 ENTPD2 (0.85) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL13210974 0.80 ENTPD1 (1.00) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL13210975 0.79 ENTPD1 (0.91) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL15859418 0.74 ENTPD2 (0.79) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL13211022 0.74 ENTPD2 (0.79) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL3020107 0.74 ENTPD2 (0.79) ENTPD2ENTPD1P2RY6P2RY2P2RY4

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
EP-1860113-A1 Ectonucleotidase inhibitors Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-28 EP disclosed