SCHEMBL1661130

SCHEMBL1661130

O=C(O)c1coc(Oc2cccc3c2CCCC3)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.45
RXRB P28702 9/20 0.45
RXRG P48443 6/20 0.45
MRGPRX4 Q96LA9 1/20 0.41
IDO1 P14902 7/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL2871804 0.81 MRGPRX4 (0.35) RXRARXRBRXRGMRGPRX4
SCHEMBL1658929 0.79 TAS1R3 (0.38)
SCHEMBL1660823 0.78 NPC1 (0.36)
SCHEMBL1660068 0.76 ACHE (0.35)
SCHEMBL2868369 0.76 KDM4E (0.40)
SCHEMBL12563392 0.75 SCN9A (0.38) RXRARXRBRXRGIDO1
SCHEMBL2638243 0.74 LMNA (0.51)
SCHEMBL2866959 0.74 TTR (0.33)
SCHEMBL2866447 0.74 KDM4C (0.36)
SCHEMBL5657571 0.73 RXRA (0.53) RXRARXRBRXRGMRGPRX4IDO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP claimed
JP-2011526625-A 2011-10-13 JP claimed
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP claimed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO claimed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed