SCHEMBL7597442

SCHEMBL7597442

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MIF P14174 1/20 0.33
CA2 P00918 1/20 0.32
PRKCA P17252 1/20 0.31
ALOX15 P16050 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
SCHEMBL404171 0.77
SCHEMBL446469 0.76
SCHEMBL3100751 0.75
SCHEMBL207282 0.74
SCHEMBL9122393 0.73
SCHEMBL11662066 0.73
SCHEMBL899934 0.72
SCHEMBL1204820 0.72 EGLN1 (0.41)
SCHEMBL1486190 0.72
SCHEMBL7170547 0.71

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-2002085253-A1 DRUG DELIVERY PLATFORM AND METHODS FOR THE INHIBITION OF NEOINTIMA FORMATION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2002-10-31 WO disclosed