SCHEMBL2010365

SCHEMBL2010365

COc1ccc(C(OCCCC(CN(C(=O)O)[C@@H]2O[C@@H](n3cnc4c(=O)[nH]cnc43)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.43

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
SCHEMBL2010362 0.89 TYMP (0.43) TYMP
SCHEMBL2010357 0.88 TYMP (0.42) TYMP
SCHEMBL13145466 0.86 TYMP (0.42) TYMP
SCHEMBL12568425 0.86 TYMP (0.42) TYMP
SCHEMBL12568385 0.81 TYMP (0.43) TYMP
SCHEMBL2842311 0.77 TYMP (0.39) TYMP
SCHEMBL15302162 0.76 TYMP (0.44) TYMP
SCHEMBL16131333 0.76 TYMP (0.44) TYMP
SCHEMBL2005334 0.74 TYMP (0.59) TYMP
SCHEMBL12765886 0.74 KDM4E (0.48) TYMP

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-7960526-B2 Colorimetric-oxycarbonyl protecting groups for use in organic syntheses BERRY AND ASSOCIATES, INC. (US) 2011-06-14 — — US disclosed
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