SCHEMBL4078632

SCHEMBL4078632

COc1ccc(C(OCc2ccccc2)(c2ccc(OC)cc2)C23CN(C(=O)COc4ccccc4)OC(C(n4ccc(=O)[nH]c4=O)O2)C3O)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.40
GHSR Q92847 1/20 0.36
P2RY14 Q15391 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
ORAI1 Q96D31 1/20 0.32
P2RY2 P41231 2/20 0.31
P2RY6 Q15077 2/20 0.31
P2RY4 P51582 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4078638 0.98 NT5E (0.38) NT5EGHSRP2RY14MAPK1ALDH1A1
SCHEMBL4075038 0.88 NT5E (0.42) NT5EP2RY14MEN1KMT2AP2RY2
SCHEMBL4075042 0.86 NT5E (0.40) NT5EP2RY14P2RY2P2RY6P2RY4
SCHEMBL4083485 0.85 P2RY6 (0.39) NT5EGHSRP2RY14MEN1KMT2A
SCHEMBL4083486 0.83 P2RY6 (0.38) NT5EP2RY14MEN1KMT2AALDH1A1
SCHEMBL4078631 0.82 NT5E (0.36) NT5EGHSRP2RY14MAPK1ALDH1A1
SCHEMBL13722156 0.77 NT5E (0.39) NT5EP2RY14MEN1KMT2AP2RY2
SCHEMBL13722164 0.76 NT5E (0.39) NT5EP2RY14MEN1KMT2AP2RY2
SCHEMBL13721986 0.74 NT5E (0.39) NT5EP2RY14P2RY2P2RY6
SCHEMBL4075035 0.72 NT5E (0.40) NT5EP2RY14P2RY2P2RY6P2RY4

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