SCHEMBL577022

SCHEMBL577022

CCOC(=O)C(c1ccc(N2C(O)c3ccccc3C2O)cc1)c1cc(C)ccc1Nc1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.45
PTGS1 P23219 3/20 0.45
ABCB11 O95342 1/20 0.45
PPARG P37231 1/20 0.45
NR1I3 Q14994 1/20 0.45
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
MAPK10 P53779 2/20 0.33
MAPK14 Q16539 2/20 0.33
PTGES O14684 1/20 0.33
CXCL8 P10145 2/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL576745 0.85 CXCL8 (0.43) PTGS2PTGS1ABCB11NR1I3CXCL8
SCHEMBL586141 0.80 PTGS2 (0.49) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL577459 0.76 PTGS2 (0.54) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL577228 0.73 CXCL8 (0.45) PTGS2PTGS1ABCB11NR1I3CXCL8
SCHEMBL576775 0.71 PTGS2 (0.65) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL2886956 0.71 PTGS2 (0.53) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL5150979 0.71 PTGS2 (0.51) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL2880886 0.70 PTGS2 (0.52) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL27595572 0.69 PTGS2 (0.64) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL576512 0.69 CXCL8 (0.50) PTGS2PTGS1ABCB11NR1I3CXCL8

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