SCHEMBL7546168

SCHEMBL7546168

CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(CCC(=O)O)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 12/20 0.54
▸ ITGA4 P13612 12/20 0.54
▸ MMP3 P08254 4/20 0.52
▸ FOLH1 Q04609 1/20 0.52
▸ MMP2 P08253 2/20 0.52
▸ MAPT P10636 1/20 0.49
▸ MME P08473 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ FPR2 P25090 1/20 0.47

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
SCHEMBL7540570 1.00 ITGB1 (0.54) ITGB1ITGA4MMP3FOLH1MMP2
SCHEMBL7548271 0.93 FOLH1 (0.51) ITGB1ITGA4MMP3FOLH1MMP2
SCHEMBL7545100 0.93 ITGB1 (0.51) ITGB1ITGA4MMP3MMP2MAPT
SCHEMBL7538353 0.93 MMP3 (0.51) ITGB1ITGA4MMP3MMP2MAPT
SCHEMBL7545880 0.92 FPR2 (0.55) ITGB1ITGA4MMP3FOLH1MMP2
SCHEMBL7546261 0.89 MEN1 (0.48) ITGB1ITGA4MMP3FOLH1MMP2
SCHEMBL7539261 0.88 MMP3 (0.47) ITGB1ITGA4MMP3MMP2MME
SCHEMBL7543837 0.87 MMP3 (0.46) ITGB1ITGA4MMP3MMP2MME
SCHEMBL7543834 0.87 MMP3 (0.46) ITGB1ITGA4MMP3MMP2MME
SCHEMBL7538645 0.87 ITGB1 (0.52) ITGB1ITGA4MMP3MMP2MME

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