SCHEMBL3789657

SCHEMBL3789657

Cc1ccc(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2O)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.63
POLB P06746 1/20 0.62
TK1 P04183 2/20 0.59
BCHE P06276 1/20 0.57

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
SCHEMBL8424933 0.93 POLB (0.61) POLBTK1BCHE
SCHEMBL8586579 0.90 BCHE (0.59) TYMSPOLBTK1BCHE
SCHEMBL2543582 0.89 TYMS (0.63) TYMSPOLBTK1BCHE
SCHEMBL887852 0.86 TK1 (0.69) TYMSPOLBTK1BCHE
SCHEMBL16359946 0.86 TK1 (0.69) TYMSPOLBTK1BCHE
SCHEMBL24548457 0.86 POLB (0.66) TYMSPOLBTK1BCHE
SCHEMBL17232081 0.85 TK1 (0.69) TYMSPOLBTK1BCHE
SCHEMBL4809523 0.85 POLB (0.68) TYMSPOLBTK1BCHE
SCHEMBL22943603 0.85 TK1 (0.69) TYMSPOLBTK1BCHE
SCHEMBL12918450 0.85 TK1 (0.69) TYMSPOLBTK1BCHE

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-7741294-B1 Non-standard nucleobases implementing the isocytidine and isoguanosine hydrogen bonding patterns BENNER STEVEN ALBERT 2010-06-22 US disclosed