SCHEMBL13680982

SCHEMBL13680982

COCc1ccc(-c2ccc(CCC=O)o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
MAPT P10636 7/20 0.44
KDM4E B2RXH2 7/20 0.44
PKM P14618 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
DDAH1 O94760 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
HTT P42858 2/20 0.38
GFER P55789 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13680867 0.82 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680979 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680866 0.80 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680887 0.80 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680980 0.80 HRH3 (0.44) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13681009 0.79 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680876 0.78 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680864 0.77 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680897 0.77 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL13680859 0.77 ALDH1A1 (0.60) 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 2 patents. 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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed