Sugi Predict

Sugi Predict / Compounds / SCHEMBL6830095

SCHEMBL6830095

SCHEMBL6830095

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TK2 O00142 9/20 0.35
▸ TK1 P04183 5/20 0.34
▸ RNASE1 P07998 1/20 0.32

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
SCHEMBL6829890 0.92 TK2 (0.34) TK2TK1
SCHEMBL6827449 0.86 TK2 (0.32) TK2TK1
SCHEMBL9550769 0.85 RNASE1 (0.40) TK2TK1RNASE1
SCHEMBL2031822 0.85 RNASE1 (0.40) TK2TK1RNASE1
SCHEMBL13930549 0.85 RNASE1 (0.40) TK2TK1RNASE1
SCHEMBL22984007 0.85 RNASE1 (0.40) TK2TK1RNASE1
SCHEMBL13901245 0.85 RNASE1 (0.40) TK2TK1RNASE1
SCHEMBL28600193 0.85 RNASE1 (0.40) TK2TK1RNASE1
SCHEMBL14771517 0.85 RNASE1 (0.40) TK2TK1RNASE1
SCHEMBL13952067 0.85 RNASE1 (0.40) TK2TK1RNASE1

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-6743902-B1 FOR USE IN ANTISENSE THERAPY FOR ENHANCING NUCLEASE RESISTANCE AND CELLULAR UPTAKE VALEANT PHARMACEUTICALS INTERNATIONAL 2004-06-01 — — US disclosed
US-5712378-A SUGAR MOLECULE IS SUBSTITUTED WITH HYDROCARBON OR SUBSTITUTED HYDROCARBON GROUPS, ANTISENSE AGENTS ICN PHARMACEUTICALS (US) 1998-01-27 — — US disclosed