SCHEMBL7542175

SCHEMBL7542175

CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)NC(CSSCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 11/20 0.49
▸ ITGA4 P13612 11/20 0.49
▸ MMP3 P08254 3/20 0.43
▸ MMP2 P08253 3/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ FPR2 P25090 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CTSL P07711 1/20 0.42

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
SCHEMBL7545785 0.94 ITGB1 (0.46) ITGB1ITGA4MMP2FPR2MAPT
SCHEMBL7542806 0.94 ITGB1 (0.44) ITGB1ITGA4FPR2MAPT
SCHEMBL7545926 0.93 ITGB1 (0.44) ITGB1ITGA4FPR2MAPT
SCHEMBL7540944 0.93 MMP3 (0.42) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7538982 0.92 ITGB1 (0.44) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7546281 0.92 ITGB1 (0.44) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7541939 0.92 ITGB1 (0.44) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7541947 0.92 ITGB1 (0.44) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7538899 0.92 ANPEP (0.53) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7541642 0.92 ITGB1 (0.47) ITGB1ITGA4MMP3CTSL

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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