SCHEMBL7540848

SCHEMBL7540848

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CTSL P07711 6/20 0.41
▸ MMP3 P08254 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ FCER2 P06734 1/20 0.38
▸ ITGB1 P05556 2/20 0.38
▸ ITGA4 P13612 2/20 0.38
▸ CA2 P00918 1/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ CTSB P07858 2/20 0.37
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL7540844 1.00 MEN1 (0.44) MEN1KMT2ACTSLMMP3MMP2
SCHEMBL7543837 0.94 MMP3 (0.46) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7543834 0.94 MMP3 (0.46) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7541367 0.93 MMP2 (0.41) CTSLMMP3MMP2MAPTMMP1
SCHEMBL7547288 0.93 FOLH1 (0.46) CTSLMMP3MMP2MAPTFOLH1
SCHEMBL7541363 0.93 MMP2 (0.41) CTSLMMP3MMP2MAPTMMP1
SCHEMBL7547281 0.93 FOLH1 (0.46) CTSLMMP3MMP2MAPTFOLH1
SCHEMBL7539428 0.92 KMT2A (0.44) MEN1KMT2ACTSLMMP3MMP2
SCHEMBL7539424 0.92 KMT2A (0.44) MEN1KMT2ACTSLMMP3MMP2
SCHEMBL7545087 0.91 MMP1 (0.46) KMT2AMMP3MMP2ALDH1A1MMP1

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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