SCHEMBL16704789

SCHEMBL16704789

CCCCCCCCCCCCCCCCCCOc1cc(COC(=O)CCC(=O)OC2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CC)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TK2 O00142 4/20 0.46
ABCG2 Q9UNQ0 3/20 0.45
ABCB1 P08183 1/20 0.45
RNASE1 P07998 1/20 0.45
SLC6A2 P23975 1/20 0.41
TK1 P04183 1/20 0.39

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
SCHEMBL13963213 1.00 TK2 (0.46) TK2ABCG2ABCB1RNASE1SLC6A2
SCHEMBL22472268 0.95 RNASE1 (0.51) TK2ABCG2ABCB1RNASE1SLC6A2
SCHEMBL13963223 0.91 TK2 (0.39) TK2ABCG2ABCB1RNASE1SLC6A2
SCHEMBL13963217 0.90 TK2 (0.48) TK2ABCG2ABCB1RNASE1SLC6A2
SCHEMBL16573643 0.88 RNASE1 (0.41) TK2ABCG2ABCB1RNASE1SLC6A2
SCHEMBL16130869 0.88 RNASE1 (0.41) TK2ABCG2ABCB1RNASE1SLC6A2
SCHEMBL28626891 0.82 RNASE1 (0.53) TK2ABCG2ABCB1RNASE1SLC6A2
SCHEMBL19565364 0.81 RNASE1 (0.43) TK2ABCG2ABCB1RNASE1TK1
SCHEMBL21078683 0.80 RNASE1 (0.56) TK2RNASE1SLC6A2TK1
SCHEMBL20518491 0.80 TK2 (0.41) TK2ABCG2ABCB1RNASE1TK1

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-9029528-B2 Solution-based method of making oligonucleotides via phosphoramidite coupling AJINOMOTO CO., INC. (JP) 2015-05-12 US disclosed