SCHEMBL7149728

SCHEMBL7149728

CCN(CCCCc1ccc2c(-c3ccc(Cl)cc3)nsc2c1)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.41
KCNH2 Q12809 3/20 0.36
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR1I3 Q14994 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
SCHEMBL5040439 0.85 LSS (0.49) LSSKCNH2KDM4EALDH1A1LMNA
SCHEMBL5035416 0.84 LSS (0.58) LSSKCNH2KDM4EALDH1A1LMNA
SCHEMBL5040006 0.81 LSS (0.44) LSSKCNH2NR1I3
SCHEMBL7167019 0.81 LSS (0.44) LSSKCNH2KDM4EALDH1A1HPGD
SCHEMBL5038850 0.81 LSS (0.49) LSSKCNH2KDM4EALDH1A1LMNA
SCHEMBL5035657 0.81 LSS (0.56) LSSKCNH2KDM4EALDH1A1LMNA
SCHEMBL5045740 0.80 LSS (0.45) LSS
SCHEMBL5038482 0.79 LSS (0.51) LSSKCNH2KDM4EALDH1A1LMNA
SCHEMBL5035336 0.79 LSS (0.48) LSSFFAR4
SCHEMBL5040012 0.78 LSS (0.43) LSSFFAR4

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