SCHEMBL6301637

SCHEMBL6301637

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@@]2(n3cc(C)c(=O)[nH]c3=O)O[C@H](CO)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.37
TK1 P04183 4/20 0.37
TK2 O00142 9/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL8197887 0.90 PYGM (0.38) TK1TK2
SCHEMBL6756343 0.88 RNASE1 (0.36) RNASE1TK1TK2MAPK1
SCHEMBL9755149 0.86 RNASE1 (0.39) RNASE1TK1TK2MAPK1
SCHEMBL6753651 0.83 RNASE1 (0.35) RNASE1TK1TK2MAPK1
SCHEMBL8370048 0.82 RNASE1 (0.38) RNASE1TK1TK2
SCHEMBL6474433 0.82 TOP2A (0.33) RNASE1TK1TK2
SCHEMBL29834215 0.81 RNASE1 (0.37) RNASE1TK1TK2
SCHEMBL29834214 0.81 RNASE1 (0.37) RNASE1TK1TK2
SCHEMBL9064864 0.80 RNASE1 (0.38) RNASE1TK1TK2MAPK1
SCHEMBL17080336 0.79 TK1 (0.38) RNASE1TK1TK2

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-6914148-B2 Guanidinium functionalized intermediates ISIS PHARMACEUTICALS, INC. (US) 2005-07-05 US disclosed