SCHEMBL7546445

SCHEMBL7546445

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MMP9 P14780 3/20 0.42
▸ MMP8 P22894 2/20 0.42
▸ REN P00797 1/20 0.42
▸ MMP2 P08253 5/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MMP3 P08254 4/20 0.41
▸ FPR2 P25090 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MMP1 P03956 2/20 0.40
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ ECE1 P42892 2/20 0.39
▸ ACE P12821 1/20 0.39

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
SCHEMBL7541819 0.95 ACE (0.41) GAAMAPTHPGDRAB9AMMP9
SCHEMBL7547224 0.95 SMN1; SMN2 (0.41) GAAMAPTHPGDRAB9AMMP9
SCHEMBL7544077 0.95 MAPK1 (0.42) GAAMAPTHPGDRAB9AMMP9
SCHEMBL7544754 0.93 FPR2 (0.49) RAB9AMMP9RENMMP2MMP3
SCHEMBL7540684 0.93 GAA (0.42) GAAMAPTHPGDRAB9AMMP9
SCHEMBL7546030 0.92 MEN1 (0.42) MAPTRENMMP2FPR2MAPK1
SCHEMBL7544683 0.90 MAPT (0.45) GAAMAPTHPGDRAB9AMMP9
SCHEMBL7543803 0.88 CTSK (0.43) GAAMAPTHPGDRAB9AMMP9
SCHEMBL7544065 0.88 ITGB1 (0.47) MMP9MMP8MMP2MMP7MMP12
SCHEMBL7538333 0.87 GAA (0.38) GAAMAPTHPGDRAB9AMMP9

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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