Sugi Predict

Sugi Predict / Compounds / SCHEMBL6830778

SCHEMBL6830778

SCHEMBL6830778

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

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.36
▸ TK1 P04183 6/20 0.35
▸ TK2 O00142 3/20 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
SCHEMBL6830417 0.93 RNASE1 (0.34) RNASE1TK1TK2
SCHEMBL6832169 0.93 RNASE1 (0.34) RNASE1TK1TK2
SCHEMBL26545363 0.90 RNASE1 (0.35) RNASE1TK1TK2
SCHEMBL25511815 0.90 RNASE1 (0.38) RNASE1TK1TK2
SCHEMBL6827481 0.90 RNASE1 (0.36) RNASE1TK1
SCHEMBL439033 0.89 RNASE1 (0.39) RNASE1TK1TK2
SCHEMBL22984007 0.87 RNASE1 (0.40) RNASE1TK1TK2
SCHEMBL9550769 0.87 RNASE1 (0.40) RNASE1TK1TK2
SCHEMBL13930549 0.87 RNASE1 (0.40) RNASE1TK1TK2
SCHEMBL28600193 0.87 RNASE1 (0.40) 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-6743902-B1 FOR USE IN ANTISENSE THERAPY FOR ENHANCING NUCLEASE RESISTANCE AND CELLULAR UPTAKE VALEANT PHARMACEUTICALS INTERNATIONAL 2004-06-01 — — US disclosed