SCHEMBL6280599

SCHEMBL6280599

COc1cc2c(cc1CCC=O)C(C(C)(C)C)=CC(C)(C)O2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.33
HTR2A P28223 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6518907 0.88 PPARA (0.34) PPARAKDM4E
SCHEMBL6511266 0.82 CYP3A4 (0.47) PPARAKDM4E
SCHEMBL6280858 0.76 KDM4E (0.34) PPARAHTR2AKDM4E
SCHEMBL6275650 0.73 PPARA (0.37) PPARAKDM4E
SCHEMBL6275352 0.73 HMGCR (0.39) PPARA
SCHEMBL6508274 0.70 KDM4E (0.33) KDM4E
SCHEMBL6511665 0.69 PPARG (0.39) PPARAKDM4E
SCHEMBL6281431 0.69 PPARA (0.34) PPARAKDM4E
SCHEMBL6281433 0.69 PPARA (0.34) PPARAKDM4E
SCHEMBL6284901 0.68 PPARA (0.36) PPARA

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
US-6887896-B1 7-[(7-Alkoxy)-chrom-3-en-6-yl]-heptatrienoic acid and 7-[(3-alkoxy)-5,6-dihydronaphthalen-2-yl]-heptatrienoic acid derivatives having serum glucose reducing activity ALLERGAN, INC. (US) 2005-05-03 US disclosed