SCHEMBL8374355

SCHEMBL8374355

CC(S)CC(=O)OC(=O)CC(C)S

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 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
SCHEMBL8374357 0.87 ALDH1A1 (0.62) ALDH1A1TSHRLMNAMAPT
SCHEMBL5898830 0.81
SCHEMBL8499849 0.81
SCHEMBL690378 0.81
SCHEMBL100193 0.79 DGKA (0.37) ALDH1A1TDP1RNPEPMAPT
SCHEMBL30363177 0.79 MMP1 (0.39) ALDH1A1TDP1RNPEPMMP1MMP2
SCHEMBL21675935 0.79 LMNA (0.43) ALDH1A1RNPEPMMP1MMP2MMP3
SCHEMBL8372286 0.79 ALDH1A1 (0.35) ALDH1A1TDP1RNPEPMMP1MMP2
SCHEMBL98537 0.79 MAPK1 (0.31)
SCHEMBL818904 0.77

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-1999060187-A1 METAL SURFACE TREATMENT AGENTS, METHODS OF TREATING METAL SURFACES AND PRE-COATED STEEL SHEETS DACRAL S.A. (FR) 1999-11-25 WO disclosed