SCHEMBL7176452

SCHEMBL7176452

CCCCCN(C)C(C)(C)C#Cc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.56
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
TLR8 Q9NR97 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
SCHEMBL5039640 0.87 LSS (0.54) LSS
SCHEMBL7168583 0.86 LSS (0.53) LSSATP4AATP4BCTSSCTSK
SCHEMBL5038473 0.86 LSS (0.55) LSS
SCHEMBL7164733 0.84 LSS (0.51) LSSATP4AATP4BCTSSCTSK
SCHEMBL7167049 0.84 LSS (0.56) LSSATP4AATP4BCTSSCTSK
SCHEMBL5038808 0.83 LSS (0.81) LSS
SCHEMBL5039521 0.81 LSS (0.66) LSSATP4AATP4B
SCHEMBL7166235 0.81 LSS (0.43) LSS
SCHEMBL5040354 0.79 LSS (0.58) LSS
SCHEMBL5035559 0.79 LSS (0.58) LSS

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-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 WO disclosed