SCHEMBL13680974

SCHEMBL13680974

Cn1ccc(-c2ccc(CCC=O)o2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DDAH1 O94760 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 4/20 0.35
PKM P14618 4/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR6 P50406 1/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 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

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
SCHEMBL13681030 0.80 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2DDAH1CYP1A2
SCHEMBL13680866 0.75 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2DDAH1CYP1A2
SCHEMBL13680859 0.74 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2DDAH1CYP1A2
SCHEMBL13681027 0.74 HTR6 (0.32) ALDH1A1KDM4ESMN1; SMN2DDAH1CYP1A2
SCHEMBL13681028 0.73 DYRK1A (0.43) CYP1A2HSD17B10HPGDMEN1KMT2A
SCHEMBL13680887 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2DDAH1CYP1A2
SCHEMBL13680864 0.72 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2DDAH1CYP1A2
SCHEMBL13681006 0.72 CYP2C19 (0.39) ALDH1A1KDM4ESMN1; SMN2DDAH1CYP1A2
SCHEMBL13680867 0.72 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2DDAH1CYP1A2
SCHEMBL13680906 0.71 PIK3C3 (0.37) ALDH1A1MAPTPKMHTTHSD17B10

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