SCHEMBL12066935

SCHEMBL12066935

CCC(CC)COC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC(CC)CC)OC[C@H]1O[C@@H](c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.34
▸ KRAS P01116 1/20 0.32
▸ RIPK1 Q13546 1/20 0.30

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
SCHEMBL22096276 0.84 POLRMT (0.33) POLRMTKRASRIPK1
SCHEMBL12068858 0.83 POLRMT (0.32) POLRMT
SCHEMBL10119994 0.82 CYP3A4 (0.45) POLRMT
SCHEMBL14845671 0.82 TMPRSS2 (0.33) —
SCHEMBL10142401 0.82 TMPRSS2 (0.33) —
SCHEMBL22096272 0.82 POLRMT (0.33) POLRMTKRAS
SCHEMBL14845682 0.82 TMPRSS2 (0.33) —
SCHEMBL22096270 0.81 TMPRSS2 (0.44) POLRMTKRASRIPK1
SCHEMBL23818574 0.81 POLRMT (0.44) POLRMTRIPK1
SCHEMBL12066945 0.80 CYP3A4 (0.33) POLRMT

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
WO-2011150288-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-12-01 — — WO disclosed
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