SCHEMBL4083482

SCHEMBL4083482

COc1ccc(C(OCC23CN(C(=O)COc4ccccc4)OC(C(n4ccc(NC(=O)c5ccccc5)nc4=O)O2)C3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.39
P2RY14 Q15391 2/20 0.39
NT5E P21589 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TYMP P19971 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
TMIGD3 P0DMS9 2/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
F2 P00734 1/20 0.33
CPT1A P50416 1/20 0.33
EGFR P00533 1/20 0.32
ERBB3 P21860 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
SCHEMBL13722534 0.86 P2RY6 (0.45) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4082385 0.85 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL5992442 0.85 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL1096600 0.85 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4078631 0.84 NT5E (0.36) P2RY6P2RY14NT5ETYMPALDH1A1
SCHEMBL4773361 0.84 P2RY6 (0.42) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4083486 0.84 P2RY6 (0.38) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4074822 0.83 P2RY6 (0.31) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4083485 0.83 P2RY6 (0.39) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL20394006 0.81 P2RY6 (0.42) P2RY6P2RY14NT5EABL1RIN1

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-7569686-B1 Compounds and methods for synthesis of bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed