SCHEMBL7539428

SCHEMBL7539428

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ PSMB11 A5LHX3 3/20 0.39
▸ PSMA7 O14818 3/20 0.39
▸ PSMB1 P20618 3/20 0.39
▸ PSMA1 P25786 3/20 0.39
▸ PSMA2 P25787 3/20 0.39
▸ PSMA3 P25788 3/20 0.39
▸ PSMA4 P25789 3/20 0.39
▸ PSMB8 P28062 3/20 0.39
▸ PSMB9 P28065 3/20 0.39
▸ PSMA5 P28066 3/20 0.39
▸ PSMB4 P28070 3/20 0.39
▸ PSMB6 P28072 3/20 0.39
▸ PSMB5 P28074 3/20 0.39
▸ PSMB10 P40306 3/20 0.39
▸ PSMB3 P49720 3/20 0.39
▸ PSMB2 P49721 3/20 0.39
▸ PSMA6 P60900 3/20 0.39
▸ PSMA8 Q8TAA3 3/20 0.39
▸ PSMB7 Q99436 3/20 0.39

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
SCHEMBL7539424 1.00 KMT2A (0.44) KMT2APSMB11PSMA7PSMB1PSMA1
SCHEMBL7543837 0.94 MMP3 (0.46) MMP3MMP2ITGB1ITGA4CTSL
SCHEMBL7543834 0.94 MMP3 (0.46) MMP3MMP2ITGB1ITGA4CTSL
SCHEMBL7547281 0.93 FOLH1 (0.46) MMP3MAPTMMP2FOLH1CTSL
SCHEMBL7547288 0.93 FOLH1 (0.46) MMP3MAPTMMP2FOLH1CTSL
SCHEMBL7541363 0.93 MMP2 (0.41) PSMB8PSMB5PSMB10PSMB2MMP3
SCHEMBL7541367 0.93 MMP2 (0.41) PSMB8PSMB5PSMB10PSMB2MMP3
SCHEMBL7540848 0.92 MEN1 (0.44) KMT2AMMP3MAPTALDH1A1MEN1
SCHEMBL7540844 0.92 MEN1 (0.44) KMT2AMMP3MAPTALDH1A1MEN1
SCHEMBL7545087 0.91 MMP1 (0.46) KMT2APSMB11PSMA7PSMB1PSMA1

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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