SCHEMBL27989282

SCHEMBL27989282

COc1cc(CNC(=O)OCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ LMNA P02545 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ PLAU P00749 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ PDE7A Q13946 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ PDE7B Q9NP56 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PDE2A O00408 1/20 0.49

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
SCHEMBL27989284 0.95 LMNA (0.55) KDM4ELMNASMN1; SMN2HPGDPLAU
SCHEMBL3899897 0.89 PLAU (0.54) KDM4ELMNASMN1; SMN2HPGDPLAU
SCHEMBL6380001 0.84 TRPV1 (0.63) HPGDPLAU
SCHEMBL6376195 0.83 NPC1 (0.59) SMN1; SMN2HPGDPLAUMEN1KMT2A
SCHEMBL7372649 0.82 CYP3A4 (0.63) KDM4EPLAUMEN1KMT2AL3MBTL1
SCHEMBL31349283 0.81 MEN1 (0.56) KDM4EMEN1KMT2A
Benzyl Benzylcarbamate SCHEMBL1136818 0.81 PLAU (0.70) LMNASMN1; SMN2PLAU
SCHEMBL7647107 0.80 NPC1 (0.59) SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL7373867 0.80 CYP3A4 (0.55) SMN1; SMN2HPGDPLAUMEN1KMT2A
SCHEMBL17864888 0.79 LMNA (0.61) LMNASMN1; SMN2PLAUL3MBTL1

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
CN-101679239-B Inhibitors of histone deacetylase METHYLGENE INC 2014-12-10 — — CN disclosed
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