SCHEMBL14384571

SCHEMBL14384571

NC(=O)CCNC(=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 12)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 3/20 0.61
▸ ENTPD1 P49961 1/20 0.59
▸ SLC28A1 O00337 1/20 0.53
▸ SLC28A2 O43868 1/20 0.53
▸ SLC29A1 Q99808 1/20 0.53
▸ SLC28A3 Q9HAS3 1/20 0.53
▸ P2RY14 Q15391 3/20 0.53
▸ P2RY2 P41231 8/20 0.47
▸ ROCK2 O75116 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ P2RY6 Q15077 5/20 0.45
▸ P2RY4 P51582 2/20 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
SCHEMBL14384430 0.81 SLC28A1 (0.61) ENTPD2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL13211009 0.81 ENTPD2 (0.55) ENTPD2ENTPD1SLC28A1SLC28A2SLC29A1
SCHEMBL3023058 0.80 ENTPD2 (0.79) ENTPD2ENTPD1SLC28A1SLC28A2SLC29A1
SCHEMBL3023054 0.80 ENTPD2 (0.79) ENTPD2ENTPD1SLC28A1SLC28A2SLC29A1
SCHEMBL13210979 0.80 ENTPD2 (0.90) ENTPD2ENTPD1P2RY14P2RY2P2RY6
SCHEMBL3019419 0.79 ENTPD2 (0.62) ENTPD2ENTPD1SLC28A1SLC28A2SLC29A1
SCHEMBL3019416 0.79 ENTPD2 (0.62) ENTPD2ENTPD1SLC28A1SLC28A2SLC29A1
SCHEMBL3023061 0.79 ENTPD2 (0.72) ENTPD2ENTPD1P2RY14P2RY2P2RY6
SCHEMBL3024200 0.79 ENTPD1 (0.80) ENTPD2ENTPD1SLC28A1SLC28A2SLC29A1
SCHEMBL3024202 0.79 ENTPD1 (0.80) ENTPD2ENTPD1SLC28A1SLC28A2SLC29A1

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