SCHEMBL7540033

SCHEMBL7540033

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ACE P12821 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CTSL P07711 6/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CTSB P07858 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL7540036 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTACE
SCHEMBL7543387 0.94 MMP2 (0.40) MEN1KMT2AALDH1A1MAPTCTSL
SCHEMBL7543392 0.94 MMP2 (0.40) MEN1KMT2AALDH1A1MAPTCTSL
SCHEMBL7539469 0.93 MMP2 (0.38) MEN1KMT2AALDH1A1MAPTCTSL
SCHEMBL7539472 0.93 MMP2 (0.38) MEN1KMT2AALDH1A1MAPTCTSL
SCHEMBL7540417 0.93 CTSL (0.37) MAPTACECTSLITGB1ITGA4
SCHEMBL7540421 0.93 CTSL (0.37) MAPTACECTSLITGB1ITGA4
SCHEMBL7544791 0.92 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTACE
SCHEMBL7544796 0.92 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTACE
SCHEMBL7539871 0.92 GRN (0.39) MEN1KMT2AALDH1A1MAPTHTT

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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