SCHEMBL6972568

SCHEMBL6972568

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

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.31
RXRA P19793 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
SCHEMBL6981392 0.88 RXRA (0.33) HDAC4RXRA
SCHEMBL7618967 0.80 HDAC4 (0.33) HDAC4RXRA
SCHEMBL6971918 0.76 POLB (0.30)
SCHEMBL8892644 0.75 KDM4E (0.38) HDAC4RXRA
SCHEMBL6981388 0.75 RXRA (0.38) RXRA
SCHEMBL7675064 0.75 CYP3A4 (0.36) HDAC4RXRA
SCHEMBL8892646 0.74 LOX (0.33) HDAC4
SCHEMBL7625208 0.72 RXRA (0.33) RXRA
SCHEMBL7813152 0.72 CXCR2 (0.42)
SCHEMBL7621921 0.70 RXRA (0.39) RXRA

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-1080089-B1 PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES BASF AG (DE) 2003-11-05 EP disclosed
WO-1997019076-A1 ISOXAZOLE-4-YL-BENZOYL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-05-29 WO disclosed