SCHEMBL7846493

SCHEMBL7846493

CCCCC(CO)CCCCNS(=O)(=O)c1ccc(N(C)C)cc1Cc1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
TBXAS1 P24557 1/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CNR2 P34972 1/20 0.35
APP P05067 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL7848583 0.88 ALDH1A1 (0.38) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL7845581 0.85 ALDH1A1 (0.34) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL7846527 0.81 CNR2 (0.46) MEN1KMT2ACNR2
SCHEMBL7837233 0.76 MEN1 (0.35) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL7846899 0.74 CNR2 (0.38) MEN1LMNAKMT2ACNR2MMP9
SCHEMBL7846237 0.73 APP (0.34) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL7848540 0.73 TBXA2R (0.37) ALDH1A1MEN1LMNAKMT2APOLB
SCHEMBL7846766 0.73 CNR2 (0.40) ALDH1A1MEN1LMNAKMT2APOLB
SCHEMBL7846110 0.72 CNR2 (0.37) MEN1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL7845066 0.71 CYP1A2 (0.36) ALDH1A1MEN1LMNAKMT2APOLB

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-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP disclosed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO disclosed