SCHEMBL8953786

SCHEMBL8953786

CC(=O)N(C)c1ccc(Sc2cccc(C(=O)C3CCOCC3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.44
MGLL Q99685 13/20 0.42
ALDH1A1 P00352 1/20 0.39
PIP5K1C O60331 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8953770 0.87 ALOX5 (0.41) ALOX5MGLLALDH1A1PIP5K1CKDM4E
SCHEMBL8953605 0.85 SIRT2 (0.37) ALOX5MGLLALDH1A1PIP5K1CKDM4E
SCHEMBL8953864 0.78 MAOB (0.47) ALDH1A1KMT2A
SCHEMBL8953766 0.76 ALOX5 (0.43) ALOX5MGLLALDH1A1PIP5K1CKDM4E
SCHEMBL8953763 0.76 ALOX5 (0.43) ALOX5MGLLALDH1A1PIP5K1CKDM4E
SCHEMBL8953688 0.74 SIRT2 (0.33) ALOX5PIP5K1CKDM4EMEN1MAPT
SCHEMBL8953797 0.74 SIRT2 (0.33) ALOX5PIP5K1CKDM4EMEN1MAPT
SCHEMBL9380927 0.72 ALOX5 (0.63) ALOX5
SCHEMBL8953902 0.72 HDAC3 (0.45) ALOX5ALDH1A1MEN1MAPTKMT2A
SCHEMBL8953794 0.69 PPARA (0.38) ALDH1A1PIP5K1CKDM4EMAPTKMT2A

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-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed