SCHEMBL7539472

SCHEMBL7539472

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.38
▸ ITGB1 P05556 6/20 0.37
▸ ITGA4 P13612 6/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ CTSL P07711 4/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CTSB P07858 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FPR2 P25090 1/20 0.34
▸ MAPT P10636 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
SCHEMBL7539469 1.00 MMP2 (0.38) MMP2ITGB1ITGA4ALDH1A1CTSL
SCHEMBL7543387 0.94 MMP2 (0.40) MMP2ITGB1ITGA4ALDH1A1CTSL
SCHEMBL7543392 0.94 MMP2 (0.40) MMP2ITGB1ITGA4ALDH1A1CTSL
SCHEMBL7540421 0.94 CTSL (0.37) MMP2ITGB1ITGA4CTSLMMP1
SCHEMBL7540417 0.94 CTSL (0.37) MMP2ITGB1ITGA4CTSLMMP1
SCHEMBL7540036 0.93 MEN1 (0.39) ITGB1ITGA4ALDH1A1CTSLLMNA
SCHEMBL7540033 0.93 MEN1 (0.39) ITGB1ITGA4ALDH1A1CTSLLMNA
SCHEMBL7539871 0.93 GRN (0.39) MMP2ITGB1ITGA4ALDH1A1CTSL
SCHEMBL7539878 0.93 GRN (0.39) MMP2ITGB1ITGA4ALDH1A1CTSL
SCHEMBL7545843 0.92 ANPEP (0.43) MMP2ALDH1A1CTSLMMP1MMP3

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
Send feedback