SCHEMBL1407310

SCHEMBL1407310

CCOC(=O)CNCc1c(C(=O)OCC)n(-c2ccc(OC(C)C)cc2)c2ccc(-c3ccc(C(C)(C)C)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.49
NR1H4 Q96RI1 1/20 0.39
MAPK8 P45983 1/20 0.38
PPARG P37231 4/20 0.36
PPARA Q07869 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 2/20 0.35

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
SCHEMBL334001 0.92 PTGES (0.47) PTGESNR1H4MAPK8PPARGPPARA
SCHEMBL333586 0.86 PTGES (0.51) PTGESNR1H4PPARGPPARACYP2C9
SCHEMBL3012072 0.85 PTGES (0.51) PTGESNR1H4MAPK8PPARGPPARA
SCHEMBL334000 0.85 PTGES (0.48) PTGESNR1H4MAPK8PPARGPPARA
SCHEMBL4021254 0.84 PTGES (0.59) PTGESNR1H4PPARGPPARACYP2C9
SCHEMBL334136 0.83 PTGES (0.53) PTGESNR1H4PPARGPPARACYP2C9
SCHEMBL4700726 0.83 PTGES (0.53) PTGESNR1H4MAPK8PPARGPPARA
SCHEMBL4698398 0.83 PTGES (0.55) PTGESNR1H4PPARGPPARACYP2C9
SCHEMBL4698605 0.82 PTGES (0.50) PTGESNR1H4MAPK8PPARGPPARA
SCHEMBL3000522 0.82 PTGES (0.48) PTGESMAPK8MAPTSMN1; SMN2

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-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed