SCHEMBL13744452

SCHEMBL13744452

C=C(C)c1cc(CCC(=O)OCCn2c(=O)n(CCOC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(CCOC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ ALOX5 P09917 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAOB P27338 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ APP P05067 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 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
SCHEMBL13929446 1.00 GAA (0.41) GAAKMT2AMEN1ALOX5HTT
SCHEMBL226400 0.90 GAA (0.49) GAAKMT2AMEN1ALOX5HTT
SCHEMBL28562840 0.88 GAA (0.47) GAAKMT2AMEN1ALOX5HTT
SCHEMBL12230794 0.86 GAA (0.45) GAAKMT2AMEN1ALOX5HTT
SCHEMBL13266171 0.85 GAA (0.43) GAAKMT2AMEN1ALOX5HTT
SCHEMBL805438 0.84 GAA (0.43) GAAKMT2AMEN1ALOX5HTT
SCHEMBL4217330 0.84 GAA (0.42) GAAKMT2AMEN1ALOX5HTT
SCHEMBL12294539 0.83 GAA (0.47) GAAKMT2AMEN1ALOX5HTT
SCHEMBL14191732 0.83 GAA (0.47) GAAKMT2AMEN1ALOX5HTT
SCHEMBL26382938 0.83 GAA (0.43) GAAKMT2AMEN1ALOX5HTT

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-20090194617-A1 Method of producing low-dust granules from polymer additives CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2009-08-06 — — US disclosed
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