SCHEMBL7544997

SCHEMBL7544997

COc1ccc(NC(=C[N+](=O)[O-])Nc2ccc(CC(=O)NC(CC(C)C)C(=O)NC(CN3CCN(CC(NC(=O)CC(C)(C)C)C(=O)O)CC3)C(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 4/20 0.41
▸ ANPEP P15144 2/20 0.41
▸ PSMB8 P28062 5/20 0.39
▸ PSMB11 A5LHX3 4/20 0.39
▸ PSMA7 O14818 4/20 0.39
▸ PSMB1 P20618 4/20 0.39
▸ PSMA1 P25786 4/20 0.39
▸ PSMA2 P25787 4/20 0.39
▸ PSMA3 P25788 4/20 0.39
▸ PSMA4 P25789 4/20 0.39
▸ PSMB9 P28065 4/20 0.39
▸ PSMA5 P28066 4/20 0.39
▸ PSMB4 P28070 4/20 0.39
▸ PSMB6 P28072 4/20 0.39
▸ PSMB5 P28074 4/20 0.39
▸ PSMB10 P40306 4/20 0.39
▸ PSMB3 P49720 4/20 0.39
▸ PSMB2 P49721 4/20 0.39
▸ PSMA6 P60900 4/20 0.39
▸ PSMA8 Q8TAA3 4/20 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
SCHEMBL7544986 1.00 MMP1 (0.41) MMP1ANPEPPSMB8PSMB11PSMA7
SCHEMBL7540560 0.94 ITGB1 (0.40) MMP1PSMB8ITGB1ITGA4REN
SCHEMBL7540550 0.94 ITGB1 (0.40) MMP1PSMB8ITGB1ITGA4REN
SCHEMBL7541214 0.93 ITGB1 (0.38) MMP1ANPEPPSMB8PSMB5PSMB10
SCHEMBL7538310 0.93 ITGB1 (0.37) MMP1ITGB1ITGA4REN
SCHEMBL7541223 0.93 ITGB1 (0.38) MMP1ANPEPPSMB8PSMB5PSMB10
SCHEMBL7538314 0.93 ITGB1 (0.37) MMP1ITGB1ITGA4REN
SCHEMBL7539713 0.92 SMN1; SMN2 (0.38) ITGB1ITGA4LMNA
SCHEMBL7545934 0.92 GRN (0.37) PSMB8PSMB11PSMA7PSMB1PSMA1
SCHEMBL7539722 0.92 SMN1; SMN2 (0.38) ITGB1ITGA4LMNA

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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