SCHEMBL3724477

SCHEMBL3724477

O=CCc1ccc2cc(Oc3ccc(OCC(F)(F)F)c(Cl)c3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.42
PPARG P37231 5/20 0.39
PPARD Q03181 8/20 0.38
FFAR1 O14842 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3727617 0.92 PPARA (0.44) PPARAPPARGPPARDFFAR1MEN1
SCHEMBL3720490 0.83 GLA (0.48) PPARAPPARGFFAR1SMN1; SMN2
SCHEMBL3719886 0.81 TTR (0.42) PPARAPPARGPPARDMEN1MAPT
SCHEMBL3720850 0.78 PPARA (0.43) PPARAPPARGMAPTALDH1A1MAPK1
SCHEMBL3726994 0.78 ACACB (0.42) FFAR1MEN1MAPTKMT2AALDH1A1
SCHEMBL3724474 0.77 ESRRA (0.47) PPARAPPARGPPARDMEN1MAPT
SCHEMBL3720208 0.77 FFAR1 (0.39) PPARAPPARGPPARDFFAR1
SCHEMBL3728680 0.76 RAB9A (0.45) PPARGFFAR1MEN1MAPTHTT
SCHEMBL3722769 0.75 CA2 (0.41)
SCHEMBL3720487 0.75 HTT (0.41) PPARAPPARGMEN1MAPTHTT

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed