SCHEMBL13680898

SCHEMBL13680898

COC(=O)c1ccc(-c2ccc(CCC=O)o2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
PKM P14618 3/20 0.41
DYRK1A Q13627 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DDAH1 O94760 1/20 0.38
APP P05067 1/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP2C9 P11712 1/20 0.36
NOTUM Q6P988 1/20 0.36
FAAH O00519 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL13680896 0.85 ALDH1A1 (0.41) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL20339324 0.81 ALDH1A1 (0.51) MAPK1KDM4EALDH1A1MAPTDYRK1A
SCHEMBL13680876 0.81 ALDH1A1 (0.55) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL13680900 0.80 MAPT (0.41) KDM4EALDH1A1MAPTPKMNPC1
SCHEMBL13681025 0.79 MAPT (0.38) MAPK1KDM4EALDH1A1MAPTPKM
SCHEMBL13680899 0.78 CYP2C19 (0.40) MAPK1KDM4EALDH1A1MAPTPKM
SCHEMBL13680903 0.77 ALDH1A1 (0.40) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL13680506 0.77 MAPK1 (0.51) MAPK1KDM4EALDH1A1MAPTPKM
SCHEMBL13681005 0.76 ALDH1A1 (0.39) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL13680889 0.76 ALDH1A1 (0.36) KDM4EALDH1A1MAPTPKMHSD17B10

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