SCHEMBL13375795

SCHEMBL13375795

COc1ccc(C(OC[C@@H]2CC[C@@H](n3cnc4c(NC(=O)c5ccc(CNC(=O)OCC6c7ccccc7-c7ccccc76)cc5)ncnc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.40
TYMP P19971 2/20 0.37
PAX8 Q06710 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL13375793 0.92 ADORA1 (0.36) ADORA1TYMPPAX8ADORA3ADORA2B
SCHEMBL12724727 0.90 TYMP (0.46) ADORA1TYMP
SCHEMBL13930532 0.90 TYMP (0.46) ADORA1TYMP
SCHEMBL13897165 0.90 TYMP (0.46) ADORA1TYMP
SCHEMBL13375789 0.87 ADORA1 (0.41) ADORA1TYMPPAX8ADORA3ADORA2B
SCHEMBL13375773 0.86 ADORA1 (0.44) ADORA1PAX8ADORA3ADORA2B
SCHEMBL23772807 0.86 TYMP (0.46) ADORA1TYMPADORA2B
SCHEMBL20691448 0.86 TYMP (0.46) ADORA1TYMPADORA2B
SCHEMBL21158501 0.86 TYMP (0.46) ADORA1TYMPADORA2B
SCHEMBL13375787 0.85 ADORA3 (0.39) ADORA1TYMPPAX8ADORA3ADORA2B

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-8288516-B2 Functional molecule, functional molecule synthesizing amidite and target substance analysis method FUJITSU LIMITED (JP) 2012-10-16 US disclosed