SCHEMBL6518907

SCHEMBL6518907

COc1cc2c(cc1CC=O)C(C(C)(C)C)=CC(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 2/20 0.30
MEN1 O00255 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL6280599 0.88 PPARA (0.33) PPARAKDM4E
SCHEMBL6511266 0.82 CYP3A4 (0.47) PPARAKDM4EPPARGHSP90AA1
SCHEMBL6508274 0.81 KDM4E (0.33) KDM4ELMNAHPGDPPARGMEN1
SCHEMBL6511665 0.81 PPARG (0.39) PPARAKDM4ELMNAHPGDPPARG
SCHEMBL6280567 0.78 RARA (0.37) PPARAKDM4EPPARGMEN1KMT2A
SCHEMBL6280858 0.78 KDM4E (0.34) PPARAKDM4E
SCHEMBL6275650 0.75 PPARA (0.37) PPARAKDM4EHPGDPPARGTDP1
SCHEMBL6275352 0.75 HMGCR (0.39) PPARAHSP90AA1
SCHEMBL6281433 0.71 PPARA (0.34) PPARAKDM4E
SCHEMBL6281431 0.71 PPARA (0.34) PPARAKDM4E

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-2005042509-A1 7-`(7-ALKOXY)-CHROM-3-EN-6-YL!-HEPTATRIENOIC ACID AND 7-`(3­ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL!-HEPTATRIENOIC ACID DERIVATIVES MODULATORS ALLERGAN, INC. (US) 2005-05-12 WO disclosed