SCHEMBL15031305

SCHEMBL15031305

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.53
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KLF5 Q13887 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL15031354 0.85 MEN1 (0.49) TP53HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL15031307 0.81 CA1 (0.50) TP53HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL13115525 0.78 TP53 (0.44) TP53HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL13135885 0.78 MEN1 (0.46) TP53HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL10793237 0.73 TP53 (0.71) TP53HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL13115518 0.73 L3MBTL1 (0.46) TP53ALDH1A1HTTGAAPKM
SCHEMBL4939202 0.72 TP53 (0.66) TP53HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL3516272 0.71 TP53 (0.48) TP53HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL13761422 0.71 TP53 (0.68) TP53HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL5685094 0.71 NPC1 (0.50) TP53HDAC3HDAC1HDAC2ALDH1A1

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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