SCHEMBL13680884

SCHEMBL13680884

CNOOSc1ccc(-c2ccc(CCC=O)o2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
MAPT P10636 7/20 0.36
KDM4E B2RXH2 6/20 0.36
PKM P14618 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
DDAH1 O94760 1/20 0.36
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 2/20 0.33
GFER P55789 1/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL13680897 0.86 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680866 0.74 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680867 0.73 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680935 0.73 LMNA (0.38) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL13680878 0.72 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680876 0.72 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680883 0.72 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680864 0.71 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680887 0.71 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680982 0.71 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EPKMSMN1; SMN2

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed