SCHEMBL7541822

SCHEMBL7541822

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=C[N+](=O)[O-])Nc2ccc(O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.37
▸ REN P00797 1/20 0.36
▸ CTSL P07711 2/20 0.35
▸ CTSB P07858 2/20 0.35
▸ MMP2 P08253 4/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP8 P22894 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MMP1 P03956 3/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ FOLH1 Q04609 2/20 0.34
▸ MME P08473 1/20 0.34
▸ ECE1 P42892 2/20 0.33

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
SCHEMBL7541816 1.00 ACE (0.37) ACERENCTSLCTSBMMP2
SCHEMBL7538333 0.96 GAA (0.38) ACERENCTSLCTSBMMP2
SCHEMBL7538334 0.96 GAA (0.38) ACERENCTSLCTSBMMP2
SCHEMBL7538603 0.93 MMP2 (0.39) ACERENCTSLMMP2MMP9
SCHEMBL7538494 0.93 MAPT (0.37) RENCTSLCTSBMMP2MMP9
SCHEMBL7538599 0.93 MMP2 (0.39) ACERENCTSLMMP2MMP9
SCHEMBL7538495 0.93 MAPT (0.37) RENCTSLCTSBMMP2MMP9
SCHEMBL7540598 0.88 ACE (0.39) ACERENCTSLCTSBMMP2
SCHEMBL7540592 0.88 ACE (0.39) ACERENCTSLCTSBMMP2
SCHEMBL7541819 0.88 ACE (0.41) ACERENMMP2MMP9MMP7

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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