SCHEMBL7547089

SCHEMBL7547089

CC(C)CC(C(=O)NC(CC=CCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=NC#N)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ MEN1 O00255 6/20 0.34
▸ KMT2A Q03164 6/20 0.34
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MYOC Q99972 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ACE P12821 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ AKR1C3 P42330 2/20 0.32
▸ AKR1C2 P52895 2/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ FCER2 P06734 1/20 0.32
▸ HTR1E P28566 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7539988 0.92 PDF (0.38) CTSSCTSKMEN1KMT2AMAPT
SCHEMBL7540886 0.91 CTSK (0.43) CTSSCTSKMAPTGAAACE
SCHEMBL7538346 0.90 CTSK (0.38) CTSSCTSKMAPTSMN1; SMN2GAA
SCHEMBL7541120 0.90 CTSK (0.38) CTSSCTSKMAPTSMN1; SMN2ALDH1A1
SCHEMBL7569100 0.90 CTSK (0.38) CTSSCTSKMEN1KMT2AMAPT
SCHEMBL7541723 0.89 CTSK (0.38) CTSSCTSKMAPTALDH1A1GAA
SCHEMBL7573584 0.88 CTSS (0.34) CTSSCTSKMEN1KMT2AMAPT
SCHEMBL7563464 0.88 CTSS (0.34) CTSSCTSKMEN1KMT2AMAPT
SCHEMBL7567387 0.88 CTSS (0.34) CTSSCTSKMEN1KMT2AMAPT
SCHEMBL7539259 0.88 CTSS (0.34) CTSSCTSKMEN1KMT2AMAPT

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
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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