SCHEMBL577295

SCHEMBL577295

CC(=O)Oc1ccc(C)cc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.53
ABCB11 O95342 1/20 0.45
PTGS1 P23219 1/20 0.45
PPARG P37231 1/20 0.45
NR1I3 Q14994 1/20 0.45
CLCN2 P51788 1/20 0.44
FTO Q9C0B1 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CXCL8 P10145 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL457991 0.82 CXCL8 (0.51) PTGS2ABCB11PTGS1NR1I3CLCN2
SCHEMBL29598223 0.81 CXCL8 (0.50) PTGS2ABCB11PTGS1NR1I3CLCN2
Rubidium SCHEMBL9618522 0.81 CXCL8 (0.50) PTGS2ABCB11PTGS1NR1I3CLCN2
SCHEMBL8053100 0.81 CXCL8 (0.50) PTGS2ABCB11PTGS1NR1I3CLCN2
Potassium SCHEMBL8053105 0.81 CXCL8 (0.50) PTGS2ABCB11PTGS1NR1I3CLCN2
SCHEMBL9618521 0.81 CXCL8 (0.50) PTGS2ABCB11PTGS1NR1I3CLCN2
SCHEMBL9618518 0.81 CXCL8 (0.50) PTGS2ABCB11PTGS1NR1I3CLCN2
SCHEMBL1961600 0.81 CXCL8 (0.50) PTGS2ABCB11PTGS1NR1I3CLCN2
SCHEMBL6024132 0.81 PTGS2 (0.61) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL9790062 0.80 GHSR (0.41) PTGS2ABCB11PTGS1NR1I3LMNA

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