SCHEMBL6508274

SCHEMBL6508274

CCC1=CC(C)(C)Oc2cc(OC)c(CC=O)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 2/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
GSK3B P49841 1/20 0.31
MEN1 O00255 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSP90AA1 P07900 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL6511774 0.89 KDM4E (0.30) KDM4E
SCHEMBL6511665 0.81 PPARG (0.39) KDM4ELMNAHPGDPPARGMEN1
SCHEMBL6518907 0.81 PPARA (0.34) KDM4ELMNAHPGDPPARGMEN1
SCHEMBL6280567 0.79 RARA (0.37) KDM4EPPARGMEN1KMT2A
SCHEMBL6281548 0.79 KDM4E (0.34) KDM4ETAAR1
SCHEMBL6279946 0.76 CYP3A4 (0.36) KDM4EHPGDTDP1HSP90AA1
SCHEMBL6279243 0.72 ODC1 (0.30)
SCHEMBL6279238 0.72 ODC1 (0.30)
SCHEMBL6511781 0.72 PPARG (0.40) PPARG
SCHEMBL6509614 0.71 PPARG (0.43) PPARG

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