SCHEMBL18924773

SCHEMBL18924773

CCOC(=O)C(OC(=O)C(C)(N)CC(C)(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CAD P27708 1/20 0.30
METAP2 P50579 1/20 0.30
METAP1 P53582 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
SCHEMBL18924778 0.84 MMP8 (0.35) MMP8ALDH1A1
SCHEMBL20260579 0.81 MMP8 (0.33) MMP8
SCHEMBL18924865 0.81 MMP8 (0.33) MMP8
SCHEMBL6895564 0.80 PRKCA (0.42) MMP8ALDH1A1ALOX15CAD
SCHEMBL6893080 0.77 MMP8 (0.37) MMP8ALDH1A1ALOX15CAD
SCHEMBL22267823 0.77 MMP8 (0.37) MMP8ALDH1A1ALOX15CAD
SCHEMBL19359785 0.76 MMP8 (0.36) MMP8ALDH1A1
SCHEMBL20260514 0.75 MMP8 (0.36) MMP8
SCHEMBL19851975 0.75 CYP4F2 (0.36) MMP8ALDH1A1ALOX15CAD
SCHEMBL19359786 0.74 MMP8 (0.38) MMP8ALDH1A1CADMETAP2METAP1

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
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed