Sugi Predict

Sugi Predict / Compounds / SCHEMBL7545897

SCHEMBL7545897

SCHEMBL7545897

CC(C)CC(C(=O)NC(C/C=C/CC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 11/20 0.45
▸ ITGA4 P13612 11/20 0.45
▸ FPR2 P25090 2/20 0.43
▸ CTSL P07711 1/20 0.42
▸ PSMB8 P28062 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ MMP3 P08254 3/20 0.41
▸ MMP2 P08253 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
SCHEMBL7545902 1.00 ITGB1 (0.45) ITGB1ITGA4FPR2CTSLPSMB8
SCHEMBL7541611 0.95 CNR1 (0.46) ITGB1ITGA4FPR2
SCHEMBL7543419 0.95 ITGB1 (0.43) ITGB1ITGA4FPR2CTSLPSMB8
SCHEMBL7543424 0.95 ITGB1 (0.43) ITGB1ITGA4FPR2CTSLPSMB8
SCHEMBL7541614 0.95 CNR1 (0.46) ITGB1ITGA4FPR2
SCHEMBL7547341 0.94 CNR2 (0.45) ITGB1ITGA4FPR2CTSL
SCHEMBL7547339 0.94 CNR2 (0.45) ITGB1ITGA4FPR2CTSL
SCHEMBL7541042 0.94 FPR2 (0.51) ITGB1ITGA4FPR2CTSL
SCHEMBL7541041 0.94 FPR2 (0.51) ITGB1ITGA4FPR2CTSL
SCHEMBL7544716 0.91 MEN1 (0.46) ITGB1ITGA4FPR2CTSL

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