SCHEMBL27655413

SCHEMBL27655413

CCc1ccc(C(=O)O)cc1C(=O)c1ccc(Nc2cccc(F)c2C)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.47
MAPK12 P53778 11/20 0.47
MAPK11 Q15759 11/20 0.47
MAPK14 Q16539 11/20 0.47
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CLCN2 P51788 1/20 0.38
PTGS2 P35354 2/20 0.37
ABCB11 O95342 1/20 0.37
PTGS1 P23219 1/20 0.37
PPARG P37231 1/20 0.37
NR1I3 Q14994 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2196661 0.89 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14AKR1C3
SCHEMBL27634619 0.84 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14AKR1C3
SCHEMBL27655424 0.84 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14AKR1C3
SCHEMBL27655412 0.83 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL27655429 0.82 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL27655411 0.82 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14AKR1C3
SCHEMBL2198124 0.81 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198749 0.79 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL1907229 0.79 MAPK14 (0.76) MAPK13MAPK12MAPK11MAPK14AKR1C3
SCHEMBL2196285 0.77 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14MEN1

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
CN-1826310-B Novel aminobenzophenone compounds LEO PHARMA AS 2010-07-21 CN disclosed
CN-1826310-A Novel aminobenzophenone compounds LEO PHARMA AS (DK) 2006-08-30 CN disclosed