SCHEMBL7062250

SCHEMBL7062250

CCOC(=O)C(C)S(=O)(=O)c1nc2cc(Cl)ccc2s1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.46
ALOX5 P09917 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTPN1 P18031 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
CA2 P00918 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL3134285 0.78 PPARA (0.44) PPARAALOX5PTPN1CA2LMNA
SCHEMBL3614648 0.76 SMN1; SMN2 (0.53) PPARAALOX5HDAC6PTPN1SENP7
SCHEMBL5946353 0.76 PPARA (0.73) PPARAALOX5SMN1; SMN2
SCHEMBL16595635 0.74 PTPN1 (0.52) PPARAALOX5HDAC6PTPN1SENP7
SCHEMBL11283284 0.74 DYRK1A (0.48) PPARAPTPN1SENP7CA2SMN1; SMN2
SCHEMBL3136533 0.73 CA2 (0.42) PPARAALOX5PTPN1SENP7CA2
SCHEMBL1748164 0.72 SMN1; SMN2 (0.53) PPARAALOX5HDAC6CA2SMN1; SMN2
SCHEMBL9439505 0.72 SMN1; SMN2 (0.42) PPARAALOX5HDAC6SENP7CA2
SCHEMBL5946364 0.72 PPARA (0.68) PPARAALOX5LMNASMN1; SMN2CA9
SCHEMBL13108323 0.72 HDAC6 (0.56) PPARAALOX5HDAC6PTPN1SENP7

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
WO-2004013112-A1 PESTICIDAL FLUOROALKENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-02-12 WO disclosed