SCHEMBL1298795

SCHEMBL1298795

CCCOCC(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.37
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
LPAR5 Q9H1C0 1/20 0.31

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
SCHEMBL11763774 0.85 HSD17B10 (0.44) HSD17B10CYP3A4TDP1USP2MMP9
SCHEMBL1298502 0.83 CYP3A4 (0.61) HSD17B10CYP3A4TDP1USP2MMP9
SCHEMBL25456901 0.83 HSD17B10 (0.43) HSD17B10CYP3A4TDP1USP2MMP9
SCHEMBL13007629 0.83 CYP3A4 (0.71) HSD17B10CYP3A4TDP1USP2MMP9
SCHEMBL3432858 0.83 CYP3A4 (0.71) HSD17B10CYP3A4TDP1USP2MMP9
SCHEMBL13007628 0.83 CYP3A4 (0.71) HSD17B10CYP3A4TDP1USP2MMP9
Ammonia Solution, Strong SCHEMBL1789569 0.81 CYP3A4 (0.69) HSD17B10CYP3A4TDP1USP2MMP9
SCHEMBL897065 0.81 CYP3A4 (0.39) CYP3A4ALDH1A1L3MBTL1
SCHEMBL12126210 0.80 CYP3A4 (0.47) HSD17B10CYP3A4MMP9MMP8MMP14
SCHEMBL28386424 0.79 CYP3A4 (0.42) HSD17B10CYP3A4TDP1MMP9MMP8

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-2407576-A1 PROCESS FOR REMOVING RESIDUAL WATER MOLECULES IN PROCESS FOR PRODUCING METALLIC THIN FILM, AND PURGE SOLVENT Adeka Corporation (JP) 2012-01-18 EP disclosed
US-20110268887-A1 PROCESS FOR REMOVING RESIDUAL WATER MOLECULES IN METALLIC-THIN-FILM PRODUCTION METHOD AND PURGE SOLVENT ADEKA CORPORATION (JP) 2011-11-03 US disclosed