SCHEMBL4083485

SCHEMBL4083485

COc1ccc(C(OCc2ccccc2)(c2ccc(OC)cc2)C23CN(C(=O)COc4ccccc4)OC(C(n4ccc(NC(=O)c5ccccc5)nc4=O)O2)C3O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.39
P2RY14 Q15391 2/20 0.39
NT5E P21589 1/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SCD O00767 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GHSR Q92847 1/20 0.33
F2 P00734 1/20 0.33
P2RY2 P41231 1/20 0.32
P2RY4 P51582 1/20 0.32
KLKB1 P03952 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
SCHEMBL4083486 0.98 P2RY6 (0.38) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4078632 0.85 NT5E (0.40) P2RY6P2RY14NT5EMEN1KMT2A
SCHEMBL4083482 0.83 P2RY6 (0.39) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4078638 0.83 NT5E (0.38) P2RY14NT5EALDH1A1GHSR
SCHEMBL13722534 0.79 P2RY6 (0.45) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4075038 0.73 NT5E (0.42) P2RY6P2RY14NT5EMEN1KMT2A
SCHEMBL13721996 0.72 ABL1 (0.41) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4075042 0.71 NT5E (0.40) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL4074822 0.71 P2RY6 (0.31) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4082385 0.70 P2RY6 (0.43) 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