SCHEMBL27763792

SCHEMBL27763792

C=COC(C)=O.CCN(CC(C)C(=O)O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NOX1 Q9Y5S8 1/20 0.37
▸ ESRRG P62508 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GLA P06280 2/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
Acetic Acid SCHEMBL27763789 0.86 MEN1 (0.38) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL2069440 0.85 MEN1 (0.40) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11826491 0.74 SCN1A (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL27259330 0.72 FOLH1 (0.33) TSHR
SCHEMBL2069787 0.71 SMN1; SMN2 (0.41) MEN1KMT2ANPC1RAB9ANOX1
Ethane SCHEMBL27259007 0.71 FOLH1 (0.32) —
SCHEMBL27420787 0.70 PTGS2 (0.51) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL28009400 0.70 MEN1 (0.42) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL27432922 0.70 CYP2C19 (0.53) TSHRALDH1A1KDM4EGAALMNA
SCHEMBL11379075 0.70 SLC18A3 (0.44) MEN1KMT2ANPC1RAB9ANOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528856-B Disperse azo dyes DYSTAR TEXTILFARBEN GMBH & CO 2013-07-03 — — CN disclosed
CN-101528856-A Disperse azo dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2009-09-09 — — CN disclosed
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