SCHEMBL11050604

SCHEMBL11050604

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(OCCC#N)Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.38
TK1 P04183 6/20 0.36
NT5M Q9NPB1 1/20 0.36
TYMS P04818 1/20 0.35
TK2 O00142 1/20 0.35

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
SCHEMBL7534596 0.83 TYMS (0.40) TK1TYMS
SCHEMBL8389715 0.82 RNASE1 (0.41) RNASE1TK1NT5MTK2
SCHEMBL10491026 0.81 TK1 (0.49) RNASE1TK1TK2
SCHEMBL439033 0.81 RNASE1 (0.39) RNASE1TK1TK2
SCHEMBL60737 0.77 TK1 (0.52) TK1TYMS
SCHEMBL7535867 0.77 TK1 (0.52) TK1TYMS
SCHEMBL9564565 0.77 TK1 (0.52) TK1TYMS
SCHEMBL8598213 0.76 RNASE1 (0.45) RNASE1TK1NT5M
SCHEMBL8426287 0.76 TK1 (0.45) RNASE1TK1NT5MTYMS
SCHEMBL8999406 0.76 TK1 (0.45) RNASE1TK1NT5M

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-4433140-A Tridecadeoxynucleotide, process for preparation thereof, and use thereof DR. KARL THOMAE GMBH (DE) 1984-02-21 US disclosed