SCHEMBL15866622

SCHEMBL15866622

O=CC(CC(=O)O)NC(=O)CCCNC(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 3/20 0.61
▸ ENTPD1 P49961 1/20 0.49
▸ P2RY14 Q15391 5/20 0.43
▸ SLC28A1 O00337 1/20 0.42
▸ SLC28A2 O43868 1/20 0.42
▸ SLC29A1 Q99808 1/20 0.42
▸ SLC28A3 Q9HAS3 1/20 0.42
▸ P2RY2 P41231 2/20 0.38
▸ P2RY4 P51582 1/20 0.38
▸ P2RY6 Q15077 1/20 0.38

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
SCHEMBL13211012 0.84 ENTPD2 (0.66) ENTPD2ENTPD1P2RY14SLC28A1SLC28A2
SCHEMBL13211009 0.83 ENTPD2 (0.55) ENTPD2ENTPD1P2RY14SLC28A1SLC28A2
SCHEMBL3014885 0.80 ENTPD2 (0.64) ENTPD2ENTPD1P2RY14P2RY2P2RY4
SCHEMBL3014882 0.80 ENTPD2 (0.64) ENTPD2ENTPD1P2RY14P2RY2P2RY4
SCHEMBL3019416 0.80 ENTPD2 (0.62) ENTPD2ENTPD1P2RY14SLC28A1SLC28A2
SCHEMBL3019419 0.80 ENTPD2 (0.62) ENTPD2ENTPD1P2RY14SLC28A1SLC28A2
SCHEMBL3023058 0.79 ENTPD2 (0.79) ENTPD2ENTPD1P2RY14SLC28A1SLC28A2
SCHEMBL3023054 0.79 ENTPD2 (0.79) ENTPD2ENTPD1P2RY14SLC28A1SLC28A2
SCHEMBL3025686 0.79 ENTPD2 (0.78) ENTPD2ENTPD1P2RY14P2RY2P2RY4
SCHEMBL13210991 0.79 ENTPD2 (0.78) ENTPD2ENTPD1P2RY14P2RY2P2RY4

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-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 — — EP disclosed
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