SCHEMBL272676

SCHEMBL272676

BC1CC(OC(=O)COc2ccccc2)C(C)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
P2RY2 P41231 6/20 0.33
P2RY4 P51582 5/20 0.33
P2RY6 Q15077 2/20 0.33
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EZH2 Q15910 1/20 0.31
ELANE P08246 1/20 0.31
POLRMT O00411 1/20 0.30

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
SCHEMBL18603423 0.84 P2RY2 (0.31) P2RY2P2RY4
SCHEMBL272685 0.78 P2RY2 (0.32) P2RY2P2RY4
SCHEMBL272356 0.76 P2RY2 (0.42) P2RY2P2RY4P2RY6
SCHEMBL271982 0.74 P2RY2 (0.39) ALDH1A1P2RY2P2RY4P2RY6
SCHEMBL271939 0.72 P2RY2 (0.33) P2RY2P2RY4P2RY6
SCHEMBL271983 0.72 P2RY2 (0.36) ALDH1A1P2RY2P2RY4P2RY6KDM4E
SCHEMBL272343 0.71 P2RY2 (0.36) ALDH1A1P2RY2P2RY4P2RY6
SCHEMBL272500 0.70 P2RX3 (0.43) P2RY2P2RY4P2RY6
SCHEMBL272498 0.68 P2RY2 (0.36) ALDH1A1P2RY2P2RY4P2RY6
SCHEMBL28311702 0.65 ALDH1A1 (0.51) ALDH1A1MAPTHPGD

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
US-8133669-B2 Chemically modified nucleoside 5′-triphosphates for thermally initiated amplification of nucleic acid TRILINK BIOTECHNOLOGIES (US) 2012-03-13 US disclosed
US-20100003724-A1 CHEMICALLY MODIFIED NUCLEOSIDE 5'-TRIPHOSPHATES FOR THERMALLY INITIATED AMPLIFICATION OF NUCLEIC ACID TriLink Bio Technologies 2010-01-07 US disclosed