Sugi Predict

Sugi Predict / Compounds / SCHEMBL7545162

SCHEMBL7545162

SCHEMBL7545162

Cc1ccc(NC(=O)Nc2ccc(CC(=O)NC(CC(C)C)C(=O)NC(CCCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 10/20 0.45
▸ ITGA4 P13612 10/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MMP2 P08253 2/20 0.42
▸ ANPEP P15144 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ FPR2 P25090 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41

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
SCHEMBL7541953 0.94 ITGB1 (0.47) ITGB1ITGA4MAPTMMP2MMP1
SCHEMBL7547334 0.93 NPY4R (0.45) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7538590 0.92 GRN (0.45) ITGB1ITGA4MAPTANPEPMAPK1
SCHEMBL7543913 0.91 ANPEP (0.54) ITGB1ITGA4MAPTMMP2ANPEP
SCHEMBL7541044 0.91 ITGB1 (0.42) ITGB1ITGA4MAPTMMP2ANPEP
SCHEMBL7547298 0.91 ITGB1 (0.42) ITGB1ITGA4MAPTMMP2ANPEP
SCHEMBL7545785 0.90 ITGB1 (0.46) ITGB1ITGA4MAPTMMP2ANPEP
SCHEMBL7540159 0.90 ITGB1 (0.46) ITGB1ITGA4MAPTMMP2ANPEP
SCHEMBL7541160 0.90 ITGB1 (0.44) ITGB1ITGA4MAPTMMP2ANPEP
SCHEMBL7540162 0.90 ITGB1 (0.46) ITGB1ITGA4MAPTMMP2ANPEP

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