SCHEMBL6203880

SCHEMBL6203880

CC(C)(C)OC(N)=O.Cc1oc(-c2ccccc2)nc1COc1ccc(CCCOS(C)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
PPARA Q07869 17/20 0.51
PPARG P37231 16/20 0.51
PPARD Q03181 6/20 0.49

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
SCHEMBL5380575 0.84 FFAR1 (0.69) FFAR1PPARAPPARGPPARD
SCHEMBL6964583 0.78 PPARG (0.57) FFAR1PPARAPPARG
SCHEMBL6964371 0.78 FFAR1 (0.52) FFAR1PPARAPPARG
SCHEMBL4025688 0.77 FFAR1 (0.57) FFAR1PPARAPPARGPPARD
SCHEMBL4032066 0.77 FFAR1 (0.57) FFAR1PPARAPPARGPPARD
SCHEMBL4025690 0.77 FFAR1 (0.49) FFAR1PPARAPPARGPPARD
SCHEMBL6293714 0.77 PPARG (0.64) FFAR1PPARAPPARGPPARD
SCHEMBL6156850 0.76 FFAR1 (0.74) FFAR1PPARAPPARGPPARD
SCHEMBL5018050 0.76 PPARG (0.57) PPARAPPARGPPARD
SCHEMBL4032686 0.75 FFAR1 (0.63) FFAR1PPARAPPARGPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO disclosed