SCHEMBL7166320

SCHEMBL7166320

CCCCCN(C)CCCC#Cc1ccc2c(-c3ccc(F)cc3)csc2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.40
SLC6A4 P31645 3/20 0.35
MAPK14 Q16539 2/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCD Q05655 1/20 0.33
LTB4R Q15722 1/20 0.32

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
SCHEMBL5043398 0.91 LSS (0.44) LSSMAPK14LTB4R
SCHEMBL5035311 0.89 LSS (0.41) LSSSLC6A4MAPK14LTB4R
SCHEMBL5038134 0.88 LSS (0.39) LSSMAPK14LTB4R
SCHEMBL5045720 0.86 LSS (0.52) LSSMAPK14
SCHEMBL5038385 0.83 LSS (0.58) LSSMAPK14LTB4R
SCHEMBL5040085 0.82 MAPK14 (0.48) LSSMAPK14LTB4R
SCHEMBL5038212 0.81 LSS (0.47) LSSMAPK14LTB4R
SCHEMBL7165515 0.78 LSS (0.61) LSS
SCHEMBL7164552 0.75 SMN1; SMN2 (0.34) LSSMAPK14LTB4R
SCHEMBL7181492 0.71 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