SCHEMBL7110272

SCHEMBL7110272

C[CH]CCCCOc1ccc2c(c1)S(=O)(=O)C(C)=C2c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.45
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
RAB9A P51151 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5035472 0.88 LSS (0.45) LSSMAOAMAOBRAB9ADRD2
SCHEMBL5140624 0.83 LSS (0.48) LSSMAOAMAOBKDM4E
SCHEMBL5140921 0.81 LSS (0.47) LSS
SCHEMBL5140147 0.81 ATM (0.51) LSSMAOBRAB9AHRH2HRH1
SCHEMBL5140748 0.81 LSS (0.53) LSS
SCHEMBL5140171 0.81 LSS (0.70) LSS
SCHEMBL5139757 0.79 LSS (0.54) LSSMAOB
SCHEMBL5140211 0.79 LSS (0.44) LSSMAOAMAOB
SCHEMBL5040015 0.75 PPARD (0.36) LSSMAOAMAOB
SCHEMBL5140389 0.70 AGER (0.40) MAOAMAOB

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-1334094-B1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES HOFFMANN LA ROCHE (CH) 2004-12-29 EP claimed