SCHEMBL2901219

SCHEMBL2901219

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2cc(C)c(C(=O)O)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.52
MAPK11 Q15759 15/20 0.52
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
LDLR P01130 1/20 0.43
SMO Q99835 1/20 0.43

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
SCHEMBL2902012 0.87 LMNA (0.54) MAPK14MAPK11CTDSP1TDP1
SCHEMBL239703 0.83 NPC1 (0.56) MAPK14MAPK11
SCHEMBL242627 0.82 CTDSP1 (0.58) MAPK14MAPK11CTDSP1TDP1
SCHEMBL2904915 0.81 MAPK14 (0.52) MAPK14MAPK11CTDSP1TDP1MAPK13
SCHEMBL244106 0.80 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12SMO
SCHEMBL243749 0.80 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK12SMO
Hydrochloric Acid SCHEMBL242063 0.79 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12SMO
Bromide SCHEMBL243303 0.79 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12SMO
SCHEMBL2901479 0.79 MAPK14 (0.52) MAPK14MAPK11SMO
SCHEMBL1901158 0.79 MAPK11 (0.55) MAPK14MAPK11MAPK13MAPK12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699766-B1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2010-08-11 EP claimed