SCHEMBL7541367

SCHEMBL7541367

Cc1ccc(NC(=C[N+](=O)[O-])Nc2ccc(CC(=O)NC(CC(C)C)C(=O)NC(Cc3ccc(CCC(=O)O)cc3)C(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.41
▸ ITGB1 P05556 9/20 0.40
▸ ITGA4 P13612 9/20 0.40
▸ MMP3 P08254 3/20 0.40
▸ PSMB8 P28062 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ PSMB10 P40306 1/20 0.39
▸ PSMB2 P49721 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ FOLH1 Q04609 2/20 0.38
▸ CTSL P07711 2/20 0.38
▸ CTSB P07858 2/20 0.38
▸ MMP1 P03956 1/20 0.38

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
SCHEMBL7541363 1.00 MMP2 (0.41) MMP2ITGB1ITGA4MMP3PSMB8
SCHEMBL7543834 0.94 MMP3 (0.46) MMP2ITGB1ITGA4MMP3CTSL
SCHEMBL7543837 0.94 MMP3 (0.46) MMP2ITGB1ITGA4MMP3CTSL
SCHEMBL7547281 0.94 FOLH1 (0.46) MMP2MMP3MAPTFOLH1CTSL
SCHEMBL7547288 0.94 FOLH1 (0.46) MMP2MMP3MAPTFOLH1CTSL
SCHEMBL7539428 0.93 KMT2A (0.44) MMP2ITGB1ITGA4MMP3PSMB8
SCHEMBL7540844 0.93 MEN1 (0.44) MMP2ITGB1ITGA4MMP3MAPT
SCHEMBL7539424 0.93 KMT2A (0.44) MMP2ITGB1ITGA4MMP3PSMB8
SCHEMBL7540848 0.93 MEN1 (0.44) MMP2ITGB1ITGA4MMP3MAPT
SCHEMBL7545087 0.92 MMP1 (0.46) MMP2MMP3PSMB8PSMB5PSMB10

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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