SCHEMBL8345447

SCHEMBL8345447

COc1cccc(C(OC[C@]2(n3cc(C)c(=O)[nH]c3=O)C[C@H](CO)C2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK2 O00142 13/20 0.42
TK1 P04183 7/20 0.42

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
SCHEMBL8348313 1.00 TK2 (0.42) TK2TK1
SCHEMBL7863893 0.73 RNASE1 (0.37) TK2TK1
SCHEMBL30631042 0.70 TK2 (0.42) TK2TK1
SCHEMBL3923805 0.70 TK1 (0.35) TK2TK1
SCHEMBL7863895 0.70 BCHE (0.51) TK1
SCHEMBL13382998 0.69 TK2 (0.40) TK2TK1
SCHEMBL6830774 0.67 TYMP (0.42) TK2TK1
SCHEMBL7899020 0.67 TK2 (0.41) TK2TK1
SCHEMBL8370048 0.67 RNASE1 (0.38) TK2TK1
SCHEMBL7973957 0.66 RNASE1 (0.32) TK2TK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001841-A ANTISENSE DIAGNOSTICS, THERAPEUTICS AND RESEARCH REAGENTS. ISIS PHARMACEUTICALS, INC. (US) 1999-12-14 US disclosed
US-5359044-A Diagnosis, chemical intermediates ISIS PHARMACEUTICALS (US) 1994-10-25 US disclosed