SCHEMBL7538394

SCHEMBL7538394

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 8/20 0.40
▸ NPY1R P25929 6/20 0.40
▸ NPY2R P49146 6/20 0.40
▸ CTSL P07711 5/20 0.37
▸ CTSB P07858 4/20 0.37
▸ NPY5R Q15761 5/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 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
SCHEMBL7538390 1.00 NPY4R (0.40) NPY4RNPY1RNPY2RCTSLCTSB
SCHEMBL7544848 0.94 MMP2 (0.42) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7544853 0.94 MMP2 (0.42) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7538623 0.94 MMP2 (0.40) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7538619 0.94 MMP2 (0.40) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7544796 0.93 MEN1 (0.39) CTSLMMP2ITGB1ITGA4MAPT
SCHEMBL7544791 0.93 MEN1 (0.39) CTSLMMP2ITGB1ITGA4MAPT
SCHEMBL7542586 0.93 GRN (0.39) CTSLCTSBMMP2FOLH1ITGB1
SCHEMBL7542594 0.93 GRN (0.39) CTSLCTSBMMP2FOLH1ITGB1
SCHEMBL7541538 0.92 ANPEP (0.43) CTSLCTSBMMP2MAPTMMP1

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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