SCHEMBL16349804

SCHEMBL16349804

CCCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(=O)CCC)C1OC(=O)CCC

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 9/20 0.54
P2RY2 P41231 10/20 0.53
P2RY4 P51582 6/20 0.53
P2RY14 Q15391 8/20 0.53
P2RY12 Q9H244 1/20 0.51

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
SCHEMBL15499176 0.88 P2RY2 (0.47) P2RY6P2RY2P2RY4P2RY14P2RY12
SCHEMBL5566835 0.86 CA12 (0.47) P2RY6P2RY2P2RY4P2RY14P2RY12
SCHEMBL13614431 0.84 P2RY2 (0.60) P2RY6P2RY2P2RY4P2RY14P2RY12
SCHEMBL14017178 0.84 P2RY2 (0.60) P2RY6P2RY2P2RY4P2RY14P2RY12
SCHEMBL13614430 0.82 P2RY2 (0.58) P2RY6P2RY2P2RY4P2RY14P2RY12
SCHEMBL16325769 0.82 P2RY2 (0.58) P2RY6P2RY2P2RY4P2RY14P2RY12
SCHEMBL14017183 0.82 P2RY2 (0.56) P2RY6P2RY2P2RY4P2RY14P2RY12
SCHEMBL13614429 0.82 P2RY2 (0.56) P2RY6P2RY2P2RY4P2RY14P2RY12
SCHEMBL25719804 0.81 P2RY2 (0.64) P2RY6P2RY2P2RY4P2RY14
SCHEMBL30524250 0.81 P2RY12 (0.54) P2RY6P2RY2P2RY4P2RY14P2RY12

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-7507859-B2 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC (US) 2009-03-24 US disclosed