SCHEMBL15031354

SCHEMBL15031354

CCC(O)C[N+](C)(NC(=O)c1ccc(OC)cc1OC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 5/20 0.46
▸ KLF5 Q13887 1/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NAMPT P43490 1/20 0.43

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
SCHEMBL15031305 0.85 TP53 (0.53) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL13115525 0.74 TP53 (0.44) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL13135885 0.74 MEN1 (0.46) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL30786728 0.69 KMT2A (0.75) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL4141992 0.69 KMT2A (0.75) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL10793237 0.69 TP53 (0.71) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL4939202 0.68 TP53 (0.66) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL29627549 0.68 KMT2A (0.73) MEN1KMT2AALDH1A1HTTNPC1
SCHEMBL3516272 0.67 TP53 (0.48) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL13761422 0.67 TP53 (0.68) MEN1KMT2AALDH1A1HTTGAA

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-8466238-B2 Latent curing agents, epoxy resin compositions containing the same, sealing materials, and organic EL displays MITSUI CHEMICALS, INC. (JP) 2013-06-18 — — US disclosed
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