SCHEMBL3635650

SCHEMBL3635650

CCOC(CCC#N)OCC.N#CCCC=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
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
SCHEMBL562211 0.84 TSHR (0.42) MEN1KMT2ATSHRALDH1A1
SCHEMBL7811459 0.81 LMNA (0.46) MEN1KMT2ATSHRALDH1A1
Ethylene SCHEMBL10487157 0.79 LMNA (0.43) TSHRALDH1A1
SCHEMBL2853079 0.76 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL9139427 0.74 TSHR (0.46) MEN1KMT2ATSHRALDH1A1
SCHEMBL449954 0.73
SCHEMBL10393868 0.72 TSHR (0.44) MEN1KMT2ATSHRALDH1A1
SCHEMBL2853062 0.72 TSHR (0.44) TSHRALDH1A1
SCHEMBL10393867 0.71 LMNA (0.43) TSHR
SCHEMBL2847082 0.71 TSHR (0.44) TSHRALDH1A1

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-2146973-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-27 EP disclosed
WO-2008130953-A2 2-IMIN0IS0THIAZ0LE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-30 WO disclosed