SCHEMBL7543837

SCHEMBL7543837

CC(C)CC(NC(=O)Cc1ccc(NC(=C[N+](=O)[O-])Nc2ccccc2)cc1)C(=O)NC(Cc1ccc(CCC(=O)O)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 7/20 0.46
▸ MMP2 P08253 6/20 0.45
▸ ITGB1 P05556 4/20 0.42
▸ ITGA4 P13612 4/20 0.42
▸ CTSL P07711 4/20 0.42
▸ CTSB P07858 3/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MME P08473 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ MMP7 P09237 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40

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
SCHEMBL7543834 1.00 MMP3 (0.46) MMP3MMP2ITGB1ITGA4CTSL
SCHEMBL7541363 0.94 MMP2 (0.41) MMP3MMP2ITGB1ITGA4CTSL
SCHEMBL7541367 0.94 MMP2 (0.41) MMP3MMP2ITGB1ITGA4CTSL
SCHEMBL7547281 0.94 FOLH1 (0.46) MMP3MMP2CTSLCTSBMME
SCHEMBL7547288 0.94 FOLH1 (0.46) MMP3MMP2CTSLCTSBMME
SCHEMBL7540848 0.94 MEN1 (0.44) MMP3MMP2ITGB1ITGA4CTSL
SCHEMBL7540844 0.94 MEN1 (0.44) MMP3MMP2ITGB1ITGA4CTSL
SCHEMBL7539428 0.94 KMT2A (0.44) MMP3MMP2ITGB1ITGA4CTSL
SCHEMBL7539424 0.94 KMT2A (0.44) MMP3MMP2ITGB1ITGA4CTSL
SCHEMBL7545087 0.93 MMP1 (0.46) MMP3MMP2MMP1MMP7MMP9

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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