SCHEMBL11577261

SCHEMBL11577261

CCCCCCCc1cccc(S(=O)(=O)O)c1CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.46
MCL1 Q07820 3/20 0.46
PPARA Q07869 3/20 0.46
BCL2L1 Q07817 2/20 0.46
BAK1 Q16611 2/20 0.46
KAT8 Q9H7Z6 2/20 0.46
PPARG P37231 2/20 0.46
SAE1 Q9UBE0 2/20 0.46
EP300 Q09472 1/20 0.46
KAT2A Q92830 1/20 0.46
KAT2B Q92831 1/20 0.46
KAT5 Q92993 1/20 0.46
LIPG Q9Y5X9 1/20 0.45
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
MMP2 P08253 2/20 0.40
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL27828564 1.00 BID (0.46) BIDMCL1PPARABCL2L1BAK1
SCHEMBL9137137 0.95 BID (0.47) BIDMCL1PPARABCL2L1BAK1
SCHEMBL19137790 0.95 BID (0.47) BIDMCL1PPARABCL2L1BAK1
SCHEMBL10824047 0.95 BID (0.47) BIDMCL1PPARABCL2L1BAK1
SCHEMBL5176126 0.95 BID (0.47) BIDMCL1PPARABCL2L1BAK1
SCHEMBL6899847 0.95 BID (0.47) BIDMCL1PPARABCL2L1BAK1
SCHEMBL6153166 0.95 BID (0.47) BIDMCL1PPARABCL2L1BAK1
SCHEMBL19137863 0.95 BID (0.47) BIDMCL1PPARABCL2L1BAK1
SCHEMBL19137848 0.95 BID (0.47) BIDMCL1PPARABCL2L1BAK1
SCHEMBL5175872 0.95 BID (0.47) BIDMCL1PPARABCL2L1BAK1

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
US-4086054-A Concentrated storage-stable solutions of alkylbenzenesulfonates of basic dyes BASF AKTIENGESELLSCHAFT (DT) 1978-04-25 US disclosed