SCHEMBL7207621

SCHEMBL7207621

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.37
TK2 O00142 3/20 0.35
PLD2 O14939 1/20 0.33
PLD1 Q13393 1/20 0.33
TK1 P04183 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6831448 0.99 TK2 (0.36) RNASE1TK2PLD2PLD1TK1
SCHEMBL6836547 0.93 MAPT (0.36) RNASE1TP53MAPT
SCHEMBL6834978 0.89 RNASE1 (0.34) RNASE1TK2TK1
SCHEMBL6831427 0.89 RNASE1 (0.34) RNASE1TK2TK1
SCHEMBL6834901 0.86 RNASE1 (0.32) RNASE1TK2TK1
SCHEMBL6831414 0.81 TK1 (0.38) TK2TK1
SCHEMBL6831419 0.81 TK1 (0.38) TK2TK1
SCHEMBL7207626 0.76 TK2 (0.36) TK2PLD2PLD1TK1
SCHEMBL17921691 0.74 RNASE1 (0.40) RNASE1TK2TK1
SCHEMBL2034479 0.74 RNASE1 (0.38) RNASE1TK2TK1

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-6610837-B1 Preparation of an oligonucleotide compound of given formula by reacting with given compounds, followed by oxidation or sulfurization ISIS PHARMACEUTICALS, INC. 2003-08-26 US disclosed