SCHEMBL18970168

SCHEMBL18970168

COC(=O)C(C)(C(C)C)C(C)(C)CC(C)(C)C(C)(C(=O)OC)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
MMP8 P22894 1/20 0.34
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 1/20 0.32
PIK3CD O00329 1/20 0.31
CTSK P43235 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
SCHEMBL12168934 0.74 DGAT1 (0.41) DGAT1MMP8
SCHEMBL9924097 0.72 DGAT1 (0.35) DGAT1MMP8
SCHEMBL17617203 0.71 DGAT1 (0.46) DGAT1MMP8CA1CA2CA7
SCHEMBL13350013 0.71 DGAT1 (0.46) DGAT1MMP8CA1CA2CA7
SCHEMBL888554 0.71 DGAT1 (0.34) DGAT1MMP8PIK3CD
SCHEMBL12168855 0.70 DGAT1 (0.45) DGAT1MMP8CA1CA2CA7
SCHEMBL11918118 0.69 DGAT1 (0.36) DGAT1MMP8
SCHEMBL16501325 0.69 DGAT1 (0.48) DGAT1MMP8CA1CA2CA7
SCHEMBL1629800 0.69 DGAT1 (0.48) DGAT1MMP8CA1CA2CA7
SCHEMBL7197080 0.69 DGAT1 (0.48) DGAT1MMP8CA1CA2CA7

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-2017100265-A1 ORAL CARE COMPOSITIONS AND METHODS COLGATE-PALMOLIVE COMPANY (US) 2017-06-15 WO disclosed