SCHEMBL28672157

SCHEMBL28672157

COC(=O)C(C)(C)CC(N)S

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MMP8 P22894 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
SCHEMBL15001408 0.81 FDPS (0.38) DGAT1MMP8
SCHEMBL19021912 0.78 DGAT1 (0.33) DGAT1ALDH1A1MMP8
SCHEMBL8211542 0.76 DGAT1 (0.38) DGAT1TSHRMMP8
SCHEMBL13788287 0.76 MMP8 (0.44) DGAT1TSHRMMP8
SCHEMBL291019 0.75
SCHEMBL4124393 0.74 DGAT1 (0.37) DGAT1MMP8
SCHEMBL8321933 0.74 DGAT1 (0.41) DGAT1MMP8
Hydrochloric Acid SCHEMBL8906366 0.73 KDM4E (0.39) DGAT1ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL28326930 0.72 DGAT1 (0.35) DGAT1MMP8
SCHEMBL8197896 0.72 DGAT1 (0.35) DGAT1MMP8

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
CN-108738320-B cGMP modulators for the treatment of cardiovascular diseases 默沙东公司 2021-11-19 CN disclosed