SCHEMBL7654929

SCHEMBL7654929

OCCOCCOCON1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
SLC29A1 Q99808 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7652933 0.81 MEN1 (0.41) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL27297736 0.78 SLC29A1 (0.36) MEN1KMT2ATSHRMAPK1SLC29A1
SCHEMBL28630734 0.75
Tetraethylene Glycol SCHEMBL17555610 0.75 MEN1 (0.79) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL27787404 0.75 MEN1 (0.79) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL22685881 0.72 MEN1 (0.73) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL3685291 0.72 MEN1 (0.73) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL7805707 0.72 TSHR (0.77) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL6049111 0.72 MEN1 (0.39) MEN1KMT2ATSHRMAPK1
SCHEMBL10077337 0.71 MEN1 (0.48) MEN1KMT2ATSHRMAPK1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002536440-A 2002-10-29 JP claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP claimed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO claimed