SCHEMBL8860729

SCHEMBL8860729

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(CCCCCCNC(=O)C(F)(F)F)c(NC(=O)c4ccccc4)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
POLB P06746 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
SCHEMBL8165596 0.88 TYMS (0.31)
SCHEMBL22983982 0.87 POLB (0.34) POLB
SCHEMBL31196686 0.87 POLB (0.34) POLB
SCHEMBL8166011 0.86 TYMS (0.32)
SCHEMBL3521369 0.85 POLB (0.33) POLB
SCHEMBL8169445 0.83 TYMP (0.39) POLB
SCHEMBL1539812 0.83 POLB (0.46) POLB
SCHEMBL13238297 0.82
SCHEMBL24299835 0.82 TYMP (0.32)
SCHEMBL28636366 0.81 TYMS (0.30)

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-5596091-A DNA AND RNA FOR GENE EXPRESSION FOR DIAGNOSIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-01-21 US disclosed