SCHEMBL16417877

SCHEMBL16417877

COc1ccc(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccc(CNC(=O)OCC6c7ccccc7-c7ccccc76)cc5)ncnc43)CC2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.42
▸ SLC29A1 Q99808 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2B P29275 1/20 0.40

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
SCHEMBL13930532 0.92 TYMP (0.46) ADORA1SLC29A1
SCHEMBL12724727 0.92 TYMP (0.46) ADORA1SLC29A1
SCHEMBL13897165 0.92 TYMP (0.46) ADORA1SLC29A1
SCHEMBL13375827 0.90 SLC29A1 (0.52) ADORA1SLC29A1ADORA3ADORA2B
SCHEMBL13930566 0.90 SLC29A1 (0.52) ADORA1SLC29A1ADORA3ADORA2B
SCHEMBL13930529 0.90 SLC29A1 (0.52) ADORA1SLC29A1ADORA3ADORA2B
SCHEMBL16257647 0.87 SLC29A1 (0.43) ADORA1SLC29A1ADORA3ADORA2B
SCHEMBL16417893 0.86 ADORA3 (0.45) ADORA1SLC29A1ADORA3ADORA2B
SCHEMBL16023740 0.85 TYMP (0.43) ADORA1SLC29A1ADORA3ADORA2B
SCHEMBL16257668 0.83 POLB (0.46) —

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-8940879-B2 Functional molecule, functional molecule synthesizing amidite and target substance analysis method APTA BIOSCIENCES LTD. (GB) 2015-01-27 — — US disclosed
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