SCHEMBL6981392

SCHEMBL6981392

Cc1c(OC(=O)O)ccc2c1S(=O)(=O)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.33
RXRB P28702 5/20 0.33
RXRG P48443 4/20 0.33
RARB P10826 5/20 0.32
RARG P13631 5/20 0.32
RARA P10276 4/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HDAC4 P56524 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
SCHEMBL6972568 0.88 HDAC4 (0.31) RXRAHDAC4
SCHEMBL8892644 0.76 KDM4E (0.38) RXRARARAHDAC4
SCHEMBL7675064 0.76 CYP3A4 (0.36) RXRARXRBRXRGHDAC4
SCHEMBL6982130 0.76 RYR2 (0.32)
SCHEMBL8892646 0.75 LOX (0.33) HDAC4
SCHEMBL7618967 0.75 HDAC4 (0.33) RXRARXRBRXRGRARBRARG
SCHEMBL6971025 0.71 RARB (0.34) RXRARXRBRXRGRARBRARG
SCHEMBL7621921 0.70 RXRA (0.39) RXRARXRBRXRGRARBRARG
SCHEMBL7816316 0.67 MMP2 (0.31) RXRA
SCHEMBL7811190 0.66 GAA (0.32)

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
EP-1080089-B1 PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES BASF AG (DE) 2003-11-05 EP disclosed