SCHEMBL11294402

SCHEMBL11294402

COC(=O)C1(CCOc2ccc([N+](=O)[O-])cc2)CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ L3MBTL1 Q9Y468 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
SCHEMBL11297133 0.84 MTNR1A (0.51) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL11296292 0.82 MAPT (0.65) MAPTMEN1KMT2AKCNH2PTGS2
SCHEMBL7432149 0.81 MAPT (0.55) MAPTMEN1KMT2AKCNH2PTGS2
SCHEMBL11290045 0.80 MAPT (0.72) MAPTMEN1KMT2AKCNH2ALDH1A1
SCHEMBL2889097 0.80 MAPT (0.72) MAPTMEN1KMT2AKCNH2ALDH1A1
SCHEMBL11290364 0.80 EPHX1 (0.44) MAPTMEN1KMT2AKCNH2ALDH1A1
SCHEMBL3657157 0.77 MAPT (0.55) MAPTMEN1KMT2AKCNH2ALDH1A1
SCHEMBL11290903 0.75 MAPT (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL11289014 0.75 MAPT (0.70) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11292673 0.74 MAPT (0.65) MAPTMEN1KMT2AALDH1A1CYP1A2

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-4337267-A HYPOKETONEMIC, HYPOGLYCEMIC, ANTIDIABETIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-29 — — US disclosed
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