SCHEMBL13680880

SCHEMBL13680880

CN(C)C(=O)Nc1ccc(-c2ccc(CCC=O)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
DDAH1 O94760 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 5/20 0.40
PKM P14618 5/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GFER P55789 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL13680894 0.88 SMN1; SMN2 (0.42) TSHRALDH1A1KDM4EDDAH1CYP1A2
SCHEMBL13680888 0.86 SMN1; SMN2 (0.47) TSHRALDH1A1KDM4EDDAH1CYP1A2
SCHEMBL13680875 0.84 ALDH1A1 (0.46) TSHRALDH1A1KDM4EDDAH1CYP1A2
SCHEMBL13680873 0.84 ALDH1A1 (0.43) TSHRALDH1A1KDM4EDDAH1CYP1A2
SCHEMBL13680870 0.83 KIF11 (0.42) TSHRALDH1A1KDM4EDDAH1CYP1A2
SCHEMBL13681004 0.81 ALDH1A1 (0.45) TSHRALDH1A1KDM4EDDAH1CYP1A2
SCHEMBL13680872 0.81 ALDH1A1 (0.45) TSHRALDH1A1KDM4EDDAH1CYP1A2
SCHEMBL13680891 0.80 PSMB8 (0.46) ALDH1A1KDM4EDDAH1CYP1A2CYP2C19
SCHEMBL13680895 0.78 ALDH1A1 (0.48) TSHRALDH1A1KDM4EDDAH1CYP1A2
SCHEMBL13680998 0.77 ALDH1A1 (0.41) TSHRALDH1A1KDM4EDDAH1CYP1A2

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