SCHEMBL4031981

SCHEMBL4031981

CCOC(CCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)SCC

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.60
PPARA Q07869 14/20 0.53
PPARG P37231 14/20 0.53
KDR P35968 1/20 0.49
MAPT P10636 1/20 0.47
PPARD Q03181 2/20 0.47

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
SCHEMBL4025380 0.91 PPARG (0.57) PPARAPPARGPPARD
SCHEMBL4031977 0.87 FFAR1 (0.66) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4026010 0.86 FFAR1 (0.64) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4026906 0.85 FFAR1 (0.66) FFAR1PPARAPPARGKDRPPARD
SCHEMBL6205043 0.84 FFAR1 (0.62) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4030880 0.84 FFAR1 (0.62) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4025843 0.83 FFAR1 (0.60) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4029574 0.83 FFAR1 (0.60) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4028345 0.83 FFAR1 (0.60) FFAR1PPARAPPARGKDRPPARD
SCHEMBL4026779 0.82 FFAR1 (0.59) FFAR1PPARAPPARGKDRMAPT

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