SCHEMBL13680882

SCHEMBL13680882

O=CCCc1ccc(-c2ccc(C(=O)O)cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
TDP1 Q9NUW8 4/20 0.60
ALDH1A1 P00352 8/20 0.49
MAPT P10636 6/20 0.49
PKM P14618 5/20 0.49
POLB P06746 4/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GFER P55789 1/20 0.49
TSHR P16473 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
DDAH1 O94760 1/20 0.49

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
SCHEMBL13680890 0.87 ALDH1A1 (0.44) KDM4ETDP1ALDH1A1MAPTPKM
SCHEMBL13680881 0.87 ALDH1A1 (0.48) KDM4ETDP1ALDH1A1MAPTPKM
SCHEMBL13680878 0.83 ALDH1A1 (0.45) KDM4ETDP1ALDH1A1MAPTPKM
SCHEMBL13680872 0.83 ALDH1A1 (0.45) KDM4ETDP1ALDH1A1MAPTPKM
SCHEMBL13680876 0.83 ALDH1A1 (0.55) KDM4EALDH1A1MAPTPKMPOLB
SCHEMBL13681369 0.83 MAPT (0.50) KDM4ETDP1ALDH1A1MAPTPKM
SCHEMBL13680887 0.83 ALDH1A1 (0.46) KDM4ETDP1ALDH1A1MAPTPKM
SCHEMBL13680999 0.82 ALDH1A1 (0.43) KDM4ETDP1ALDH1A1MAPTPKM
SCHEMBL13681017 0.82 TOP2A (0.42) KDM4ETDP1ALDH1A1MAPTPKM
SCHEMBL13680859 0.82 ALDH1A1 (0.60) KDM4ETDP1ALDH1A1MAPTPKM

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