SCHEMBL7541963

SCHEMBL7541963

CC(C)CC(NC(=O)Cc1ccc(NC(=NC#N)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CTSL P07711 6/20 0.41
▸ MMP1 P03956 2/20 0.38
▸ FCER2 P06734 1/20 0.38
▸ MMP2 P08253 4/20 0.37
▸ REN P00797 1/20 0.37
▸ FPR1 P21462 2/20 0.36
▸ FPR2 P25090 2/20 0.36
▸ ACE P12821 2/20 0.36
▸ MME P08473 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ MMP3 P08254 3/20 0.36
▸ CTSK P43235 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35

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
SCHEMBL7570081 0.93 CTSL (0.43) CTSLMMP1MMP2RENACE
SCHEMBL7544678 0.91 CTSL (0.39) MEN1KMT2ACTSLMMP1MMP2
SCHEMBL7540704 0.91 CTSL (0.39) MEN1KMT2ACTSLMMP1FCER2
SCHEMBL7548201 0.91 CTSL (0.42) CTSLMMP1MMP2RENACE
SCHEMBL7540085 0.91 CTSL (0.42) CTSLMMP1MMP2RENACE
SCHEMBL7543417 0.90 CTSL (0.41) KMT2ACTSLMMP1MMP2REN
SCHEMBL7541665 0.90 MEN1 (0.46) MEN1KMT2ACTSLMMP1FCER2
SCHEMBL7545704 0.89 HDAC3 (0.46) MEN1KMT2ACTSLMMP1REN
SCHEMBL7569100 0.89 CTSK (0.38) MEN1KMT2ACTSLMMP1FCER2
SCHEMBL7541145 0.88 CTSL (0.39) MEN1KMT2ACTSLACE

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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