SCHEMBL6281271

SCHEMBL6281271

CCOc1cc2c(cc1/C(C)=C(F)\C=C\C(C)=C\C(=O)O)C(c1ccccc1)=CC(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.42
RARB P10826 10/20 0.42
RXRA P19793 10/20 0.42
RXRB P28702 8/20 0.42
RXRG P48443 8/20 0.42
PPARG P37231 8/20 0.42
RARG P13631 5/20 0.39
PPARA Q07869 1/20 0.35
MEN1 O00255 1/20 0.30
GALK1 P51570 1/20 0.30
KMT2A Q03164 1/20 0.30
PDE7A Q13946 1/20 0.30
SIRT1 Q96EB6 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
SCHEMBL6281276 1.00 RARA (0.42) RARARARBRXRARXRBRXRG
SCHEMBL6279589 0.93 RXRA (0.42) RARARARBRXRARXRBRXRG
SCHEMBL6279586 0.93 RXRA (0.42) RARARARBRXRARXRBRXRG
SCHEMBL6275721 0.87 PPARA (0.36) RARARARBRXRAPPARGRARG
SCHEMBL6275725 0.87 PPARA (0.36) RARARARBRXRAPPARGRARG
SCHEMBL6281312 0.86 RXRA (0.44) RARARARBRXRARXRBRXRG
SCHEMBL6284133 0.84 RXRA (0.49) RARARARBRXRARXRBRXRG
SCHEMBL6284144 0.84 RXRA (0.49) RARARARBRXRARXRBRXRG
SCHEMBL6277125 0.84 PPARA (0.39) RARARARBRXRARXRBRXRG
SCHEMBL6277130 0.84 PPARA (0.39) RARARARBRXRARXRBRXRG

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