SCHEMBL7943917

SCHEMBL7943917

C=C(CC#N)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSK P43235 5/20 0.32
CTSS P25774 4/20 0.32
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
MCL1 Q07820 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
SCHEMBL8276027 0.73
SCHEMBL13495541 0.72
SCHEMBL182386 0.71 ALDH1A1 (0.41) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL18083139 0.70 DGAT1 (0.47) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL891873 0.69
SCHEMBL14233386 0.67
SCHEMBL12655540 0.67
SCHEMBL12408147 0.67
SCHEMBL7593203 0.67
SCHEMBL11216732 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 WO disclosed