SCHEMBL7807455

SCHEMBL7807455

CCCOCc1c(OC(=O)O)ccc2c1S(=O)(=O)CCC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.32
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL7816316 0.90 MMP2 (0.31) RXRA
SCHEMBL7675081 0.84 RXRA (0.35) RXRARXRBRXRG
SCHEMBL7678262 0.80 ALDH1A1 (0.38) RXRARXRBRXRG
SCHEMBL6981392 0.78 RXRA (0.33) RXRARXRBRXRG
SCHEMBL7786756 0.72 PPARG (0.31)
SCHEMBL6981388 0.63 RXRA (0.38) RXRARXRBRXRG
SCHEMBL7675064 0.61 CYP3A4 (0.36) RXRARXRBRXRG
SCHEMBL7675084 0.60 RXRA (0.34) RXRARXRBRXRG
SCHEMBL7618967 0.60 HDAC4 (0.33) RXRARXRBRXRG
SCHEMBL6688781 0.59 RXRA (0.55) RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135385-A1 THIOCHROMANOYLPYRAZOLONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-09-26 EP disclosed
WO-2000034270-A1 THIOCHROMANOYLPYRAZOLONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-15 WO disclosed