SCHEMBL15859373

SCHEMBL15859373

CCOP(=O)(OCC)C(NC(=O)CCCNC(=O)C1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O)C1O)P(=O)(OCC)OCC

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 3/20 0.58
▸ ENTPD1 P49961 1/20 0.47
▸ TK2 O00142 3/20 0.40
▸ P2RY14 Q15391 3/20 0.38
▸ AHCY P23526 1/20 0.37
▸ TK1 P04183 1/20 0.36
▸ TYMP P19971 2/20 0.36

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
SCHEMBL3015602 1.00 ENTPD2 (0.58) ENTPD2ENTPD1TK2P2RY14AHCY
SCHEMBL13211038 1.00 ENTPD2 (0.58) ENTPD2ENTPD1TK2P2RY14AHCY
SCHEMBL13210991 0.86 ENTPD2 (0.78) ENTPD2ENTPD1P2RY14
SCHEMBL3025686 0.86 ENTPD2 (0.78) ENTPD2ENTPD1P2RY14
SCHEMBL13211017 0.82 ENTPD1 (0.72) ENTPD2ENTPD1TK2P2RY14TK1
SCHEMBL3027286 0.81 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14
SCHEMBL14383976 0.81 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14
SCHEMBL13210985 0.81 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14
SCHEMBL14387175 0.81 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14
SCHEMBL13211032 0.81 ENTPD2 (0.47) ENTPD2ENTPD1TK2AHCYTYMP

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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