SCHEMBL7538333

SCHEMBL7538333

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(N/C(=C/[N+](=O)[O-])Nc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ REN P00797 1/20 0.37
▸ MMP2 P08253 7/20 0.37
▸ MMP3 P08254 4/20 0.37
▸ MMP1 P03956 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MMP9 P14780 3/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ MMP8 P22894 2/20 0.36
▸ ECE1 P42892 4/20 0.35
▸ CTSL P07711 1/20 0.34

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
SCHEMBL7538334 1.00 GAA (0.38) GAAMAPTHPGDRAB9AREN
SCHEMBL7541816 0.96 ACE (0.37) GAAMAPTHPGDRAB9AREN
SCHEMBL7541822 0.96 ACE (0.37) GAAMAPTHPGDRAB9AREN
SCHEMBL7538495 0.95 MAPT (0.37) GAAMAPTHPGDRAB9AREN
SCHEMBL7538603 0.95 MMP2 (0.39) GAAMAPTHPGDRAB9AREN
SCHEMBL7538494 0.95 MAPT (0.37) GAAMAPTHPGDRAB9AREN
SCHEMBL7538599 0.95 MMP2 (0.39) GAAMAPTHPGDRAB9AREN
SCHEMBL7542306 0.91 MAPT (0.39) GAAMAPTHPGDRAB9AREN
SCHEMBL7542309 0.91 MAPT (0.39) GAAMAPTHPGDRAB9AREN
SCHEMBL7546445 0.87 GAA (0.44) GAAMAPTHPGDRAB9AREN

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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