SCHEMBL7573584

SCHEMBL7573584

CC(C)CC(C(=O)NC(CNCCC(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 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.34
▸ CTSK P43235 2/20 0.34
▸ MEN1 O00255 5/20 0.32
▸ KMT2A Q03164 5/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MYOC Q99972 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ PDF Q9HBH1 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ AKR1C3 P42330 2/20 0.31
▸ AKR1C2 P52895 2/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ FCER2 P06734 1/20 0.31

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
SCHEMBL7563464 1.00 CTSS (0.34) CTSSCTSKMEN1KMT2AMAPT
SCHEMBL7539988 0.92 PDF (0.38) CTSSCTSKMEN1KMT2AMAPT
SCHEMBL7564315 0.91 CTSK (0.40) CTSSCTSKMAPTGAAACE
SCHEMBL7565424 0.91 CTSK (0.40) CTSSCTSKMAPTGAAACE
SCHEMBL7565354 0.91 CTSK (0.36) CTSSCTSKMAPTGAACTSL
SCHEMBL7565029 0.91 CTSK (0.36) CTSSCTSKMAPTGAACTSL
SCHEMBL7565898 0.91 CTSK (0.36) CTSSCTSKMAPTALDH1A1HTT
SCHEMBL7567146 0.91 CTSK (0.36) CTSSCTSKMAPTALDH1A1HTT
SCHEMBL7568018 0.90 CTSK (0.35) CTSSCTSKALDH1A1LMNACTSL
SCHEMBL7566389 0.90 CTSK (0.35) CTSSCTSKALDH1A1LMNACTSL

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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