SCHEMBL13680877

SCHEMBL13680877

CC(=O)Oc1ccc(-c2ccc(CCC=O)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.52
MAPT P10636 10/20 0.51
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 7/20 0.51
PKM P14618 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
DDAH1 O94760 1/20 0.45
HSD17B10 Q99714 4/20 0.42
HPGD P15428 4/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GFER P55789 1/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
POLB P06746 2/20 0.41

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
SCHEMBL13680879 0.86 ALDH1A1 (0.48) HTR6MAPTALDH1A1KDM4EPKM
SCHEMBL13680883 0.86 ALDH1A1 (0.48) HTR6MAPTALDH1A1KDM4EPKM
SCHEMBL13680895 0.86 ALDH1A1 (0.48) HTR6MAPTALDH1A1KDM4EPKM
SCHEMBL13681285 0.84 ALDH1A1 (0.46) HTR6MAPTALDH1A1KDM4EPKM
SCHEMBL13680867 0.83 ALDH1A1 (0.63) HTR6MAPTALDH1A1KDM4EPKM
SCHEMBL13680881 0.82 ALDH1A1 (0.48) MAPTALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL13681009 0.80 ALDH1A1 (0.46) MAPTALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL13680888 0.78 SMN1; SMN2 (0.47) MAPTALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL13680876 0.78 ALDH1A1 (0.55) MAPTALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL13680887 0.78 ALDH1A1 (0.46) HTR6MAPTALDH1A1KDM4EPKM

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