SCHEMBL30608669

SCHEMBL30608669

CCCCCCCCCCCCCCCCCCOc1cc(C(OC(=O)CCC(=O)O)[C@]2(OP(=O)(O)O)C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK2 O00142 4/20 0.39
TK1 P04183 2/20 0.37
NT5M Q9NPB1 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.35
ABCB1 P08183 1/20 0.35
CA12 O43570 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
RNASE1 P07998 1/20 0.34
TYMP P19971 2/20 0.33

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
SCHEMBL30679319 0.88 TK2 (0.40) TK2TK1ABCG2ABCB1CA12
SCHEMBL30608668 0.79 TK2 (0.31) TK2
SCHEMBL32677373 0.74 DTYMK (0.32) TK2TK1CA12CA5ACA7
SCHEMBL20518491 0.74 TK2 (0.41) TK2TK1ABCG2ABCB1CA12
SCHEMBL30679318 0.73 ABL1 (0.32)
SCHEMBL23387397 0.72 TK2 (0.41) TK2ABCG2ABCB1CA12CA5A
SCHEMBL29529114 0.72 TK2 (0.40) TK2TK1CA12CA5ACA7
SCHEMBL29529678 0.72 TK2 (0.39) TK2TK1CA12CA5ACA7
SCHEMBL23387096 0.72 TK2 (0.40) TK2TK1ABCG2ABCB1CA12
SCHEMBL31485481 0.70 P2RY12 (0.32)

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
CN-116888136-A Method for preparing oligonucleotides 味之素株式会社 2023-10-13 CN disclosed