SCHEMBL7545888

SCHEMBL7545888

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ITGB1 P05556 6/20 0.41
▸ ITGA4 P13612 6/20 0.41
▸ PDF Q9HBH1 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CTSL P07711 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MYOC Q99972 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ ANPEP P15144 1/20 0.39

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
SCHEMBL7544791 0.91 MEN1 (0.39) MEN1KMT2AMAPTITGB1ITGA4
SCHEMBL7548231 0.91 MEN1 (0.39) MEN1KMT2AMAPTITGB1ITGA4
SCHEMBL7542159 0.91 MEN1 (0.39) MEN1KMT2AMAPTITGB1ITGA4
SCHEMBL7544796 0.91 MEN1 (0.39) MEN1KMT2AMAPTITGB1ITGA4
SCHEMBL7545857 0.91 ITGB1 (0.42) MEN1KMT2AMAPTITGB1ITGA4
SCHEMBL7545860 0.91 ITGB1 (0.42) MEN1KMT2AMAPTITGB1ITGA4
SCHEMBL7543347 0.91 ACE (0.45) MEN1KMT2AMAPTITGB1ITGA4
SCHEMBL7542054 0.91 MEN1 (0.41) MEN1KMT2AMAPTITGB1ITGA4
SCHEMBL7547950 0.91 ACE (0.46) MEN1KMT2AMAPTITGB1ITGA4
SCHEMBL7539323 0.91 MEN1 (0.39) MEN1KMT2AMAPTITGB1ITGA4

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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