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SCHEMBL16417871

SCHEMBL16417871

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccc(CNC(=O)CCC[C@H](O)OCC6c7ccccc7-c7ccccc76)cc5)ncnc43)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.42
▸ SLC29A1 Q99808 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ CARM1 Q86X55 2/20 0.35

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
SCHEMBL16023740 0.92 TYMP (0.43) TYMPSLC29A1ADORA3ADORA2BADORA1
SCHEMBL13951916 0.89 TYMP (0.42) TYMPSLC29A1ADORA3ADORA2BADORA1
SCHEMBL13930543 0.89 TYMP (0.42) TYMPSLC29A1ADORA3ADORA2BADORA1
SCHEMBL13897165 0.88 TYMP (0.46) TYMPSLC29A1ADORA1
SCHEMBL12724727 0.88 TYMP (0.46) TYMPSLC29A1ADORA1
SCHEMBL13930532 0.88 TYMP (0.46) TYMPSLC29A1ADORA1
SCHEMBL13930533 0.88 TYMP (0.47) TYMPSLC29A1ADORA3ADORA2BADORA1
SCHEMBL13375774 0.88 TYMP (0.47) TYMPSLC29A1ADORA3ADORA2BADORA1
SCHEMBL12724728 0.86 TYMP (0.50) TYMPSLC29A1ADORA3ADORA2BADORA1
SCHEMBL13897143 0.86 TYMP (0.50) TYMPSLC29A1ADORA3ADORA2BADORA1

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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