SCHEMBL6205043

SCHEMBL6205043

CCOC(C)C(CCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)OCC

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.62
PPARA Q07869 15/20 0.57
PPARG P37231 15/20 0.57
KDR P35968 1/20 0.51
PPARD Q03181 2/20 0.48

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
SCHEMBL6201647 0.91 PPARG (0.60) PPARAPPARGPPARD
SCHEMBL4030880 0.90 FFAR1 (0.62) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4026010 0.90 FFAR1 (0.64) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4031977 0.89 FFAR1 (0.66) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4026906 0.87 FFAR1 (0.66) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4030299 0.86 FFAR1 (0.61) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4026779 0.85 FFAR1 (0.59) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4030767 0.85 FFAR1 (0.61) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4031981 0.84 FFAR1 (0.60) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4028345 0.84 FFAR1 (0.60) FFAR1PPARAPPARGKDRPPARD

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 4 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 claimed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO claimed
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