SCHEMBL7538599

SCHEMBL7538599

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-])Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.39
▸ MMP1 P03956 3/20 0.38
▸ FCER2 P06734 1/20 0.38
▸ MMP14 P50281 1/20 0.36
▸ REN P00797 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MYOC Q99972 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ CTSL P07711 2/20 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
SCHEMBL7538603 1.00 MMP2 (0.39) MMP2MMP1FCER2MMP14REN
SCHEMBL7538334 0.95 GAA (0.38) MMP2MMP1RENMAPTMEN1
SCHEMBL7538333 0.95 GAA (0.38) MMP2MMP1RENMAPTMEN1
SCHEMBL7541822 0.93 ACE (0.37) MMP2MMP1RENMAPTMMP9
SCHEMBL7541816 0.93 ACE (0.37) MMP2MMP1RENMAPTMMP9
SCHEMBL7538495 0.92 MAPT (0.37) MMP2MMP1RENMAPTMEN1
SCHEMBL7538494 0.92 MAPT (0.37) MMP2MMP1RENMAPTMEN1
SCHEMBL7546030 0.91 MEN1 (0.42) MMP2MMP1FCER2MMP14REN
SCHEMBL7548177 0.88 MEN1 (0.43) MMP2MMP1FCER2RENMAPT
SCHEMBL7548182 0.88 MEN1 (0.43) MMP2MMP1FCER2RENMAPT

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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