SCHEMBL2638693

SCHEMBL2638693

O=C(O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.45
RXRB P28702 5/20 0.45
RXRG P48443 4/20 0.45
ALDH1A1 P00352 1/20 0.43
HDAC1 Q13547 6/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC6 Q9UBN7 6/20 0.41
KMO O15229 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
PTPN1 P18031 1/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CES2 O00748 1/20 0.38
ASPH Q12797 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
PDE4B Q07343 1/20 0.36

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
SCHEMBL2871094 0.87 RXRA (0.48) RXRARXRBRXRGALDH1A1HDAC1
SCHEMBL2638950 0.85 KMO (0.54) RXRARXRBRXRGALDH1A1HDAC1
SCHEMBL31604686 0.85 KMO (0.54) RXRARXRBRXRGALDH1A1HDAC1
SCHEMBL2871079 0.84 ALDH1A1 (0.50) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL628795 0.78 RXRA (0.49) RXRARXRBRXRGS1PR1
SCHEMBL19182234 0.76 RXRA (0.58) RXRARXRBRXRGALDH1A1KMO
SCHEMBL4872369 0.76 KMO (0.55) ALDH1A1HDAC1HDAC8HDAC6KMO
SCHEMBL22892178 0.76 NOTUM (0.51) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL16899143 0.76 PDE4B (0.48) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL12521280 0.76 HDAC1 (0.49) RXRARXRBALDH1A1HDAC1HDAC8

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 4 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
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