SCHEMBL7538495

SCHEMBL7538495

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(Cl)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ REN P00797 1/20 0.36
▸ MMP2 P08253 4/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MMP1 P03956 2/20 0.34
▸ MMP3 P08254 2/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ FFAR2 O15552 1/20 0.34
▸ HDAC3 O15379 3/20 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
SCHEMBL7538494 1.00 MAPT (0.37) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7538334 0.95 GAA (0.38) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7538333 0.95 GAA (0.38) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7541822 0.93 ACE (0.37) MAPTRENMMP2MMP9MMP7
SCHEMBL7541816 0.93 ACE (0.37) MAPTRENMMP2MMP9MMP7
SCHEMBL7538603 0.92 MMP2 (0.39) MAPTMEN1KMT2AALDH1A1REN
SCHEMBL7538599 0.92 MMP2 (0.39) MAPTMEN1KMT2AALDH1A1REN
SCHEMBL7538788 0.88 PSMB11 (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7538783 0.88 PSMB11 (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7544077 0.88 MAPK1 (0.42) MAPTRENMMP2MMP9MMP7

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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