SCHEMBL4032066

SCHEMBL4032066

Cc1oc(-c2ccccc2)nc1COc1ccc(CCCC(NC(=O)OC(C)(C)C)S(=O)(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.57
PPARG P37231 15/20 0.51
PPARA Q07869 12/20 0.51
MAPT P10636 2/20 0.46
PPARD Q03181 5/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4032686 0.85 FFAR1 (0.63) FFAR1PPARGPPARAMAPTPPARD
SCHEMBL4025688 0.84 FFAR1 (0.57) FFAR1PPARGPPARAMAPTPPARD
SCHEMBL4032688 0.80 FFAR1 (0.60) FFAR1PPARGPPARAPPARD
SCHEMBL4029067 0.79 FFAR1 (0.61) FFAR1PPARGPPARAPPARD
SCHEMBL4032690 0.78 FFAR1 (0.53) FFAR1PPARGPPARAMAPT
SCHEMBL4026004 0.78 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4025690 0.78 FFAR1 (0.49) FFAR1PPARGPPARAMAPTPPARD
SCHEMBL6203880 0.77 FFAR1 (0.59) FFAR1PPARGPPARAPPARD
SCHEMBL6156850 0.77 FFAR1 (0.74) FFAR1PPARGPPARAMAPTPPARD
SCHEMBL6203537 0.76 PPARG (0.67) PPARGPPARAPPARD

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-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed