SCHEMBL6421384

SCHEMBL6421384

CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](OP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O)[C@H](O)CO.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 11/20 0.52
P2RY6 Q15077 8/20 0.52
P2RY4 P51582 7/20 0.52
P2RY14 Q15391 6/20 0.52
OGT O15294 2/20 0.49

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
SCHEMBL555278 0.94 P2RY2 (0.52) P2RY2P2RY6P2RY4P2RY14OGT
SCHEMBL1519760 0.94 P2RY2 (0.52) P2RY2P2RY6P2RY4P2RY14OGT
Pyruvate SCHEMBL11424485 0.91 P2RY2 (0.50) P2RY2P2RY6P2RY4P2RY14OGT
SCHEMBL2491234 0.91 P2RY2 (0.54) P2RY2P2RY6P2RY4P2RY14OGT
SCHEMBL8373272 0.91 P2RY2 (0.54) P2RY2P2RY6P2RY4P2RY14OGT
Uridine_Diphosphate SCHEMBL28093501 0.88 P2RY6 (0.61) P2RY2P2RY6P2RY4P2RY14OGT
Uridine_Diphosphate SCHEMBL15641170 0.88 P2RY6 (0.61) P2RY2P2RY6P2RY4P2RY14OGT
Uridine_Diphosphate SCHEMBL404650 0.88 P2RY6 (0.61) P2RY2P2RY6P2RY4P2RY14OGT
Uridine_Diphosphate SCHEMBL3508085 0.88 P2RY6 (0.61) P2RY2P2RY6P2RY4P2RY14OGT
SCHEMBL875379 0.88 P2RY2 (0.53) P2RY2P2RY6P2RY4P2RY14OGT

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
US-20050214918-A1 Novel purified polypeptides from streptococcus pneumoniae AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-09-29 US disclosed