SCHEMBL5281275

SCHEMBL5281275

CC1(C)Cc2cc(Nc3ccccc3CCO)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.39
MAPK14 Q16539 16/20 0.38
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
SIRT1 Q96EB6 1/20 0.34

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 0.89 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5299097 0.79 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5296159 0.74 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5286949 0.71 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5288032 0.71 MAPK14 (0.56) MAPK14ALDH1A1
SCHEMBL3063392 0.70 MAPK14 (0.50) BUB1MAPK14ALDH1A1
SCHEMBL3051761 0.70 AKR1C3 (0.47) MAPK14ALDH1A1
SCHEMBL3051914 0.70 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3061264 0.70 MAPK14 (0.48) MAPK14SMN1; SMN2
SCHEMBL3051000 0.70 MAPK14 (0.48) MAPK14ALDH1A1SMN1; SMN2

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