SCHEMBL6281808

SCHEMBL6281808

CC/C(=C(F)/C=C/C(C)=C/C(=O)O)c1cc2c(cc1OC)OC(C)(C)C=C2C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.37
RXRB P28702 9/20 0.37
RXRG P48443 8/20 0.37
RARA P10276 7/20 0.37
RARB P10826 7/20 0.37
RARG P13631 3/20 0.37
PPARG P37231 5/20 0.34
ABCC4 O15439 1/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6275761 0.93 RXRA (0.40) RXRARXRBRXRGRARARARB
SCHEMBL6297515 0.91 KDM4E (0.31)
SCHEMBL6283174 0.89 RXRA (0.37) RXRARXRBRXRGRARARARB
SCHEMBL6284750 0.89 RXRA (0.37) RXRARXRBRXRGRARARARB
SCHEMBL6298462 0.85 RARA (0.33) RXRARXRBRXRGRARARARB
SCHEMBL6363933 0.83 HSP90AA1 (0.31)
SCHEMBL6363931 0.83 HSP90AA1 (0.31)
SCHEMBL6299184 0.82 PPARG (0.34) PPARG
SCHEMBL6421625 0.82 PPARA (0.31)
SCHEMBL6275730 0.81 RXRA (0.39) RXRARXRBRXRGRARARARB

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