SCHEMBL13492840

SCHEMBL13492840

CC(C)(C)OC(=O)[C@H](CCCCO)NC(=O)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.48
▸ MMP3 P08254 2/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ ACE P12821 1/20 0.47
▸ CTSK P43235 3/20 0.46
▸ CTSS P25774 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PRSS1 P07477 1/20 0.43
▸ CTSG P08311 1/20 0.43
▸ CTRB1 P17538 1/20 0.43
▸ CMA1 P23946 1/20 0.43
▸ MMP8 P22894 1/20 0.42
▸ CXCR3 P49682 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ ITGB7 P26010 1/20 0.42

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
SCHEMBL30887591 0.84 ACE (0.60) MMP1MMP3MMP9ACECTSS
SCHEMBL30291800 0.84 ACE (0.60) MMP1MMP3MMP9ACECTSS
SCHEMBL27706581 0.83 CASP1 (0.50) MMP1MMP3MMP9ACECTSK
SCHEMBL2063189 0.83 CASP1 (0.50) MMP1MMP3MMP9ACECTSK
SCHEMBL10166824 0.82 SYK (0.54) CTSKCTSSMAPT
SCHEMBL30649083 0.82 SYK (0.54) CTSKCTSSMAPT
SCHEMBL18882492 0.80 TRPV1 (0.49) MMP1MMP3MMP9CTSKPAX8
SCHEMBL18645311 0.79 TRPV1 (0.50) MMP1MMP3MMP9ACECTSK
SCHEMBL5970655 0.79 SYK (0.55) CTSKCTSSMAPT
SCHEMBL7222412 0.79 SYK (0.55) CTSKCTSSMAPT

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-2010017035-A2 INHIBITORS OF IAP GENENTECH, INC. (US) 2010-02-11 — — WO disclosed
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