SCHEMBL577110

SCHEMBL577110

CC(=O)Oc1cc(C)c(C)cc1Nc1c(F)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.50
PTGS1 P23219 3/20 0.50
ABCB11 O95342 1/20 0.50
PPARG P37231 1/20 0.50
NR1I3 Q14994 1/20 0.50
GAA P10253 4/20 0.42
DHODH Q02127 2/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.38
POLB P06746 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38
CLCN2 P51788 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
SCHEMBL6024132 0.86 PTGS2 (0.61) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL577295 0.76 PTGS2 (0.53) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL457991 0.73 CXCL8 (0.51) PTGS2PTGS1ABCB11NR1I3GAA
SCHEMBL9618521 0.72 CXCL8 (0.50) PTGS2PTGS1ABCB11NR1I3GAA
SCHEMBL1961600 0.72 CXCL8 (0.50) PTGS2PTGS1ABCB11NR1I3GAA
Potassium SCHEMBL8053105 0.72 CXCL8 (0.50) PTGS2PTGS1ABCB11NR1I3GAA
SCHEMBL9618518 0.72 CXCL8 (0.50) PTGS2PTGS1ABCB11NR1I3GAA
SCHEMBL29598223 0.72 CXCL8 (0.50) PTGS2PTGS1ABCB11NR1I3GAA
Rubidium SCHEMBL9618522 0.72 CXCL8 (0.50) PTGS2PTGS1ABCB11NR1I3GAA
SCHEMBL8053100 0.72 CXCL8 (0.50) PTGS2PTGS1ABCB11NR1I3GAA

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-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP disclosed