SCHEMBL7546261

SCHEMBL7546261

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ FOLH1 Q04609 2/20 0.47
▸ ITGB1 P05556 11/20 0.45
▸ ITGA4 P13612 11/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CTSL P07711 2/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MMP2 P08253 1/20 0.41

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
SCHEMBL7540848 0.91 MEN1 (0.44) MEN1KMT2AFOLH1ITGB1ITGA4
SCHEMBL7540844 0.91 MEN1 (0.44) MEN1KMT2AFOLH1ITGB1ITGA4
SCHEMBL7540570 0.89 ITGB1 (0.54) FOLH1ITGB1ITGA4MAPTMMP3
SCHEMBL7546168 0.89 ITGB1 (0.54) FOLH1ITGB1ITGA4MAPTMMP3
SCHEMBL7548271 0.88 FOLH1 (0.51) FOLH1ITGB1ITGA4MAPTMMP3
SCHEMBL7545880 0.87 FPR2 (0.55) KMT2AFOLH1ITGB1ITGA4MAPT
SCHEMBL7545943 0.86 FOLH1 (0.48) MEN1KMT2AFOLH1MAPTMMP3
SCHEMBL7543834 0.84 MMP3 (0.46) ITGB1ITGA4CTSLMMP3MMP2
SCHEMBL7543837 0.84 MMP3 (0.46) ITGB1ITGA4CTSLMMP3MMP2
SCHEMBL7547281 0.83 FOLH1 (0.46) FOLH1MAPTCTSLMMP3MMP2

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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