SCHEMBL27779082

SCHEMBL27779082

O=C(O)c1ccc(CCn2ccc(OCc3ccccc3)c(Br)c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.62
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
RXRA P19793 8/20 0.47
RXRB P28702 7/20 0.47
RXRG P48443 5/20 0.47
HPGD P15428 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SRD5A2 P31213 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
SCHEMBL27779252 0.89 MAPK14 (0.60) MAPK14PTGER1HPGDNR4A2KMT2A
SCHEMBL4475064 0.88 MAPK14 (0.81) MAPK14PTGER1PTGER4PTGER3PTGER2
SCHEMBL4480893 0.86 MAPK14 (0.69) MAPK14HPGDKDM4EMAPT
SCHEMBL4473993 0.82 MAPK14 (0.70) MAPK14
SCHEMBL4477627 0.80 MAPK14 (0.67) MAPK14PTGER1
SCHEMBL4378793 0.80 MAPK14 (0.56) MAPK14PTGER1PTGER4PTGER3PTGER2
SCHEMBL4468353 0.80 MAPK14 (0.64) MAPK14PTGER1PTGER4PTGER3PTGER2
SCHEMBL4379180 0.80 MAPK14 (0.62) MAPK14
SCHEMBL4379270 0.80 MAPK14 (0.77) MAPK14
SCHEMBL5861929 0.79 MAPK14 (0.73) MAPK14KMT2A

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-101531631-B Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP 2011-09-28 CN disclosed
CN-101531631-A Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP (US) 2009-09-16 CN disclosed