SCHEMBL6161238

SCHEMBL6161238

CC(C)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)COc1cccc(CCOc2ccccc2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
SLC2A4 P14672 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ABCB1 P08183 2/20 0.40
SLC2A8 Q9NY64 1/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
PARP1 P09874 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL3996205 0.92 PSMB5 (0.43) SIRT2PPARDPPARAALDH1A1TP53
SCHEMBL3996571 0.83 PSMB5 (0.43) SIRT2PPARDPPARATP53MAPT
SCHEMBL4962776 0.82 TRPM8 (0.54) PPARGPPARDPPARAALDH1A1TP53
SCHEMBL6160658 0.81 SIRT2 (0.43) SLC2A1SIRT2PPARGPPARDPPARA
SCHEMBL4961643 0.75 TRPM8 (0.63) ALDH1A1ABCB1LPAR1
SCHEMBL4961943 0.74 TRPM8 (0.53) ALDH1A1TP53MAPTMEN1KMT2A
SCHEMBL6160051 0.73 SIRT2 (0.44) SLC2A1SIRT2PPARDPPARAMAPT
SCHEMBL4962720 0.73 TRPM8 (0.57) ALDH1A1TP53MAPTLPAR1LPAR5
SCHEMBL3507026 0.72 SIRT2 (0.59) SIRT2PPARGPPARDPPARAALDH1A1
SCHEMBL6160660 0.72 ENPP2 (0.42) SIRT2PPARGPPARDPPARAALDH1A1

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-1517680-A1 BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA Astrazeneca AB (SE) 2005-03-30 EP claimed
WO-2004000295-A1 BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA ASTRAZENECA AB (SE) 2003-12-31 WO claimed