SCHEMBL11577381

SCHEMBL11577381

O=C(CCCCCCCCCCCc1ccc([N+](=O)[O-])cc1)OC(=O)CCCCCCCCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MAPT P10636 2/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 3/20 0.49
EPHX1 P07099 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KCNJ1 P48048 2/20 0.47
FAAH O00519 1/20 0.46
ALDH1A1 P00352 2/20 0.46
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
DAGLA Q9Y4D2 2/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL9503602 0.94 MAPT (0.56) TSHRMAPTKMT2AKCNH2EPHX1
SCHEMBL9503608 0.87 BCL9 (0.58) TSHRMAPTKMT2AKCNH2KCNJ1
SCHEMBL10358149 0.84 ALDH1A1 (0.50) TSHRMAPTKMT2AKCNH2EPHX1
SCHEMBL153580 0.84 MAPT (0.61) TSHRMAPTKMT2AKCNH2HDAC3
SCHEMBL153108 0.84 MAPT (0.61) TSHRMAPTKMT2AKCNH2HDAC3
SCHEMBL1400171 0.84 MAPT (0.61) TSHRMAPTKMT2AKCNH2HDAC3
SCHEMBL154515 0.84 MAPT (0.61) TSHRMAPTKMT2AKCNH2HDAC3
SCHEMBL2945405 0.84 MAPT (0.61) TSHRMAPTKMT2AKCNH2HDAC3
SCHEMBL2944805 0.84 MAPT (0.61) TSHRMAPTKMT2AKCNH2HDAC3
SCHEMBL2952790 0.84 MAPT (0.61) TSHRMAPTKMT2AKCNH2HDAC3

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-4097665-A Diacylnucleosides and process for preparing the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-27 US disclosed