SCHEMBL28093506

SCHEMBL28093506

CC1=CC(=O)C=C(C)C1=O.[H+]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ MAPK1 P28482 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ USP2 O75604 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ DDAH1 O94760 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ GAA P10253 3/20 0.39
▸ BLM P54132 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HSPD1 P10809 2/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CDC25A P30304 2/20 0.39

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
SCHEMBL21463 0.97 MAPT (0.41) MAPTMEN1MAPK1KMT2AUSP2
Duroquinone SCHEMBL11408085 0.88 DDAH1 (0.36) MAPTMEN1MAPK1KMT2AUSP2
SCHEMBL11303185 0.79 PTGS1 (0.34) MAPTMEN1MAPK1KMT2AUSP2
SCHEMBL1274862 0.79 MAPT (0.42) MAPTMEN1MAPK1KMT2AUSP2
SCHEMBL28036255 0.77 DDAH1 (0.34) MAPTMEN1MAPK1KMT2AUSP2
SCHEMBL9004447 0.77 ALOX5 (0.52) MAPTMEN1MAPK1KMT2AUSP2
SCHEMBL5160971 0.77 MAPT (0.40) MAPTMEN1MAPK1KMT2AUSP2
SCHEMBL5457397 0.77 MAPT (0.40) MAPTMEN1MAPK1KMT2AUSP2
SCHEMBL2741115 0.76 ALDH1A1 (0.40) MAPTMEN1MAPK1KMT2AUSP2
SCHEMBL485498 0.73 MAPT (0.45) MAPTMEN1MAPK1KMT2AUSP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103080084-B Preparation method of TMHQ 帝斯曼知识产权资产管理有限公司 2017-07-07 — — CN claimed
CN-103080084-B Preparation method of TMHQ 帝斯曼知识产权资产管理有限公司 2017-07-07 — — CN disclosed
CN-105980466-A Method for curing (meth) acrylate-containing UP or VE resins 阿克苏诺贝尔化学品国际有限公司 2016-09-28 — — CN disclosed
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