SCHEMBL4719489

SCHEMBL4719489

NC=CCC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 16/20 0.49
P2RY4 P51582 10/20 0.49
DUT P33316 2/20 0.49
P2RY6 Q15077 6/20 0.46
POLA1 P09884 1/20 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
SCHEMBL8439448 0.90 DUT (0.50) P2RY2P2RY4DUTP2RY6POLA1
SCHEMBL8436034 0.87 DUT (0.52) P2RY2P2RY4DUTP2RY6POLA1
SCHEMBL8435330 0.86 DUT (0.47) P2RY2P2RY4DUTP2RY6POLA1
SCHEMBL15135910 0.85 P2RY2 (0.57) P2RY2P2RY4P2RY6
SCHEMBL8441386 0.85 DUT (0.51) P2RY2P2RY4DUTP2RY6POLA1
SCHEMBL16670190 0.84 DUT (0.51) P2RY2P2RY4DUTP2RY6POLA1
SCHEMBL8441418 0.84 DUT (0.45) P2RY2P2RY4DUTP2RY6POLA1
SCHEMBL8437010 0.84 DUT (0.49) P2RY2P2RY4DUTP2RY6POLA1
SCHEMBL8440845 0.83 DUT (0.44) P2RY2P2RY4DUTP2RY6POLA1
SCHEMBL8440613 0.82 DUT (0.48) P2RY2P2RY4DUTP2RY6POLA1

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
EP-1311487-B1 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS MOLECULAR PROBES INC (US) 2008-11-26 EP disclosed
WO-2006084340-A1 SOLID PHASE ASSAY FOR METHYLATION ANALYSIS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2006-08-17 WO disclosed