SCHEMBL7546030

SCHEMBL7546030

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MYOC Q99972 1/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ FCER2 P06734 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ FPR2 P25090 1/20 0.38
▸ REN P00797 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ PPIA P62937 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ CXCR1 P25024 2/20 0.37
▸ CXCR2 P25025 2/20 0.37

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
SCHEMBL7546445 0.92 GAA (0.44) MAPTMMP2MMP1FPR2REN
SCHEMBL7538599 0.91 MMP2 (0.39) MEN1KMT2ANPSR1MAPTMYOC
SCHEMBL7538603 0.91 MMP2 (0.39) MEN1KMT2ANPSR1MAPTMYOC
SCHEMBL7569100 0.89 CTSK (0.38) MEN1KMT2ANPSR1MAPTMYOC
SCHEMBL7538904 0.89 MEN1 (0.48) MEN1KMT2ANPSR1MAPTMYOC
SCHEMBL7541908 0.89 MEN1 (0.44) MEN1KMT2ANPSR1MAPTMYOC
SCHEMBL7547224 0.89 SMN1; SMN2 (0.41) MAPTMMP2HTTFPR2REN
SCHEMBL7541819 0.89 ACE (0.41) MAPTMMP2MMP1FPR2REN
SCHEMBL7544077 0.88 MAPK1 (0.42) MAPTMMP2MMP1FPR2REN
SCHEMBL7541665 0.87 MEN1 (0.46) MEN1KMT2AMMP2MMP1FCER2

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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