SCHEMBL13680876

SCHEMBL13680876

COC(=O)c1ccc(-c2ccc(CCC=O)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 9/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPT P10636 11/20 0.51
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
HPGD P15428 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
HSP90AA1 P07900 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
PHGDH O43175 1/20 0.48
STAT1 P42224 1/20 0.48
PKM P14618 3/20 0.48
HSPD1 P10809 1/20 0.46
HSPE1 P61604 1/20 0.46
DDAH1 O94760 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL13681369 0.86 MAPT (0.50) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL13680881 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL13680878 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL13680882 0.83 KDM4E (0.60) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL13680892 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL13680890 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL13680875 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL13680898 0.81 MAPK1 (0.43) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL13680872 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10MAPTNPC1
SCHEMBL13680999 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MAPTNPC1

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