SCHEMBL6280495

SCHEMBL6280495

CC(Br)Oc1ccc2c(c1)C(=O)CCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 2/20 0.36
PPARG P37231 3/20 0.34
RARB P10826 6/20 0.33
RARA P10276 5/20 0.33
RARG P13631 5/20 0.33
CYP26A1 O43174 3/20 0.33
CYP26B1 Q9NR63 3/20 0.33
CYP3A4 P08684 2/20 0.33
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32

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
SCHEMBL31650617 0.84 RXRA (0.37) RXRARXRBRXRGPPARGRARB
SCHEMBL2061344 0.81 KDM4E (0.45) CYP3A4MALT1
SCHEMBL31650634 0.81 KDM4E (0.45) CYP3A4MALT1
SCHEMBL6280497 0.77 PPARG (0.41) PPARG
SCHEMBL8771897 0.76 CA12 (0.43) RXRARXRBRXRGPPARGRARB
SCHEMBL8563451 0.75 RXRA (0.36) RXRARXRBRXRGRARBRARA
SCHEMBL30279114 0.74 MALT1 (0.41) CDC25ACDC25BMALT1
SCHEMBL445935 0.74 MALT1 (0.41) CDC25ACDC25BMALT1
SCHEMBL6992256 0.72 ALDH1A1 (0.42) PPARGCYP3A4HIF1AEPAS1
SCHEMBL8771731 0.72 RXRA (0.34) RXRARXRBRXRGRARBRARA

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