SCHEMBL14386954

SCHEMBL14386954

CCOP(=O)(OCC)C(CNC(=O)CCCNC(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 3/20 0.73
▸ ENTPD1 P49961 1/20 0.58
▸ P2RY14 Q15391 6/20 0.47
▸ DUT P33316 1/20 0.44
▸ P2RY6 Q15077 4/20 0.40
▸ P2RY2 P41231 3/20 0.40
▸ P2RY4 P51582 1/20 0.40
▸ ST6GAL1 P15907 2/20 0.40
▸ P2RY12 Q9H244 1/20 0.39
▸ P2RY1 P47900 1/20 0.39

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
SCHEMBL13211037 0.90 ENTPD2 (0.74) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL3025686 0.86 ENTPD2 (0.78) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13210991 0.86 ENTPD2 (0.78) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13210980 0.85 ENTPD2 (1.00) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL14384424 0.85 ENTPD2 (1.00) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL3014885 0.81 ENTPD2 (0.64) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL3014882 0.81 ENTPD2 (0.64) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13210985 0.81 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL3027286 0.81 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL14387175 0.81 ENTPD2 (0.70) 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
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