SCHEMBL7539323

SCHEMBL7539323

CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC(CCOCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ CTSL P07711 3/20 0.39
▸ ITGB1 P05556 6/20 0.38
▸ ITGA4 P13612 6/20 0.38
▸ ANPEP P15144 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ ACE P12821 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RORC P51449 1/20 0.36

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
SCHEMBL7538392 0.92 CTSL (0.38) MEN1KMT2ACTSLITGB1ITGA4
SCHEMBL7538388 0.92 CTSL (0.38) MEN1KMT2ACTSLITGB1ITGA4
SCHEMBL7545888 0.91 MEN1 (0.42) MEN1KMT2ACTSLITGB1ITGA4
SCHEMBL7542140 0.91 ITGB1 (0.44) ITGB1ITGA4ANPEP
SCHEMBL7540799 0.90 ITGB1 (0.42) ITGB1ITGA4ANPEPMAPTALDH1A1
SCHEMBL7541673 0.89 ANPEP (0.50) ITGB1ITGA4ANPEPMAPTALDH1A1
SCHEMBL7539437 0.88 MEN1 (0.41) MEN1KMT2AMAPTHTTACE
SCHEMBL7548231 0.87 MEN1 (0.39) MEN1KMT2ACTSLITGB1ITGA4
SCHEMBL7542159 0.87 MEN1 (0.39) MEN1KMT2ACTSLITGB1ITGA4
SCHEMBL7543347 0.87 ACE (0.45) MEN1KMT2AITGB1ITGA4ANPEP

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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