SCHEMBL7167019

SCHEMBL7167019

CCCCCN(C)CCCCc1ccc2c(-c3ccc(Cl)cc3)nsc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.44
KCNH2 Q12809 4/20 0.43
GCGR P47871 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AGER Q15109 1/20 0.36

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
SCHEMBL5040006 0.96 LSS (0.44) LSSKCNH2GCGR
SCHEMBL7172439 0.89 LSS (0.56) LSSSMN1; SMN2
SCHEMBL5040439 0.87 LSS (0.49) LSSKCNH2KDM4EALDH1A1HPGD
SCHEMBL5035509 0.86 LSS (0.59) LSS
SCHEMBL5045740 0.85 LSS (0.45) LSSAGER
SCHEMBL7150154 0.84 LSS (0.44) LSSGCGRKDM4EALDH1A1CYP1A2
SCHEMBL7168884 0.83 LSS (0.62) LSSGCGRAGER
SCHEMBL5035416 0.83 LSS (0.58) LSSKCNH2KDM4EALDH1A1HPGD
SCHEMBL5038850 0.82 LSS (0.49) LSSKCNH2KDM4EALDH1A1HPGD
SCHEMBL7149728 0.81 LSS (0.41) LSSKCNH2KDM4EALDH1A1HPGD

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