SCHEMBL5299097

SCHEMBL5299097

CC1(C)CCc2cc(Nc3ccccc3CO)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
DGAT1 O75907 1/20 0.41

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
SCHEMBL5285908 0.91 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11DGAT1
SCHEMBL5289299 0.82 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5295739 0.80 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DGAT1
SCHEMBL5281275 0.79 BUB1 (0.39) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5286643 0.78 MAPK1 (0.47) MAPK14MAPK13MAPK12MAPK11DGAT1
SCHEMBL5281273 0.74 MAPK14 (0.60) MAPK14
SCHEMBL3047663 0.73 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3058616 0.73 MAPK14 (0.51) MAPK14
SCHEMBL3050591 0.68 MAPK14 (0.68) MAPK14MAPK11
SCHEMBL3050076 0.68 MAOA (0.50)

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
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO claimed
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed