SCHEMBL7548271

SCHEMBL7548271

Cc1ccc(NC(=O)Nc2ccc(CC(=O)NC(CC(C)C)C(=O)NC(Cc3ccc(CCC(=O)O)cc3)C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.51
▸ ITGB1 P05556 15/20 0.51
▸ ITGA4 P13612 15/20 0.51
▸ MAPT P10636 1/20 0.48
▸ MMP3 P08254 2/20 0.45
▸ MMP2 P08253 1/20 0.44

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
SCHEMBL7546168 0.93 ITGB1 (0.54) FOLH1ITGB1ITGA4MAPTMMP3
SCHEMBL7540570 0.93 ITGB1 (0.54) FOLH1ITGB1ITGA4MAPTMMP3
SCHEMBL7545880 0.91 FPR2 (0.55) FOLH1ITGB1ITGA4MAPTMMP3
SCHEMBL7546261 0.88 MEN1 (0.48) FOLH1ITGB1ITGA4MAPTMMP3
SCHEMBL7541363 0.87 MMP2 (0.41) FOLH1ITGB1ITGA4MAPTMMP3
SCHEMBL7541367 0.87 MMP2 (0.41) FOLH1ITGB1ITGA4MAPTMMP3
SCHEMBL7545100 0.86 ITGB1 (0.51) ITGB1ITGA4MAPTMMP3MMP2
SCHEMBL7538353 0.86 MMP3 (0.51) ITGB1ITGA4MAPTMMP3MMP2
SCHEMBL7546158 0.85 FOLH1 (0.53) FOLH1ITGB1ITGA4MAPTMMP3
SCHEMBL2632708 0.82 ACE (0.55) MMP2

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
Send feedback