SCHEMBL4338085

SCHEMBL4338085

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2SC(n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](OC)[C@@H]2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.42
P2RY14 Q15391 2/20 0.42
NT5E P21589 1/20 0.42
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
ADORA3 P0DMS8 6/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35
F2 P00734 1/20 0.35
CDKN1A P38936 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ADORA1 P30542 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7919968 0.83 P2RY6 (0.48) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4338084 0.82 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL1055228 0.82 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL2114901 0.82 P2RY6 (0.51) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL5962135 0.80 P2RY6 (0.39) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL12636350 0.79 P2RY6 (0.48) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL1052783 0.78 P2RY14 (0.37) P2RY6P2RY14
SCHEMBL1050829 0.78 P2RY14 (0.37) P2RY6P2RY14
SCHEMBL3515583 0.78 LMNA (0.35) NT5E
SCHEMBL3515586 0.78 LMNA (0.35) NT5E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677822-A4 4'-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2009-08-19 EP disclosed
EP-1677822-A2 4'-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
WO-2005027962-A1 4’-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed