SCHEMBL10424905

SCHEMBL10424905

CC(C)(C)OC(=O)NCCCC[C@H](NCc1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ TLR2 O60603 1/20 0.53
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CTSK P43235 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ KLK7 P49862 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46

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
SCHEMBL19839686 0.91 MEN1 (0.55) MAPTMEN1KMT2ANPSR1TLR2
SCHEMBL19839675 0.91 MEN1 (0.55) MAPTMEN1KMT2ANPSR1TLR2
SCHEMBL19839673 0.91 MEN1 (0.55) MAPTMEN1KMT2ANPSR1TLR2
SCHEMBL19839794 0.85 CA1 (0.52) MAPTMEN1KMT2ANPSR1TLR2
SCHEMBL19839791 0.85 CA1 (0.52) MAPTMEN1KMT2ANPSR1TLR2
SCHEMBL19851664 0.85 TLR2 (0.72) MAPTMEN1KMT2ANPSR1TLR2
SCHEMBL19851747 0.85 TLR2 (0.72) MAPTMEN1KMT2ANPSR1TLR2
SCHEMBL5332693 0.84 SIRT2 (0.65) MAPTKLK7KLK5SIRT2
SCHEMBL5332690 0.84 SIRT2 (0.65) MAPTKLK7KLK5SIRT2
SCHEMBL19839847 0.84 MAPT (0.51) MAPTMEN1KMT2ANPSR1TLR2

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-4918105-A Novel compounds with collagenase-inhibiting activity, a process for their preparation and pharmaceutical compositions in which these compounds are present SA LABORATOIRE ROGER BELLON (FR) 1990-04-17 — — US disclosed
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