SCHEMBL7547950

SCHEMBL7547950

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.46
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ITGB1 P05556 6/20 0.38
▸ ITGA4 P13612 6/20 0.38
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ CTSL P07711 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ FCER2 P06734 1/20 0.37
▸ FPR2 P25090 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
SCHEMBL7542353 1.00 ACE (0.46) ACEPPARGPPARAMEN1KMT2A
SCHEMBL7543347 0.93 ACE (0.45) ACEPPARGPPARAMEN1KMT2A
SCHEMBL7545888 0.91 MEN1 (0.42) ACEMEN1KMT2AITGB1ITGA4
SCHEMBL7541939 0.91 ITGB1 (0.44) ITGB1ITGA4MAPTMMP1FPR2
SCHEMBL7546281 0.91 ITGB1 (0.44) ITGB1ITGA4MAPTMMP1FPR2
SCHEMBL7538982 0.91 ITGB1 (0.44) ITGB1ITGA4MAPTMMP1FPR2
SCHEMBL7541947 0.91 ITGB1 (0.44) ITGB1ITGA4MAPTMMP1FPR2
SCHEMBL7540012 0.90 ITGB1 (0.40) ITGB1ITGA4MAPTMMP1FPR2
SCHEMBL7540772 0.90 ACE (0.42) ACEITGB1ITGA4MAPTMMP1
SCHEMBL7542535 0.90 ACE (0.42) ACEITGB1ITGA4MAPTMMP1

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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