SCHEMBL7540684

SCHEMBL7540684

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ REN P00797 1/20 0.41
▸ MMP2 P08253 5/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP8 P22894 1/20 0.39
▸ MMP3 P08254 4/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ ECE1 P42892 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL7546445 0.93 GAA (0.44) GAAHPGDRAB9AMAPTREN
SCHEMBL7546420 0.90 GAA (0.43) GAAHPGDRAB9AMAPTREN
SCHEMBL7547224 0.88 SMN1; SMN2 (0.41) GAAHPGDRAB9AMAPTREN
SCHEMBL7541819 0.88 ACE (0.41) GAAHPGDRAB9AMAPTREN
SCHEMBL7545871 0.88 RNASEL (0.43) GAARAB9AMMP2CA1CA2
SCHEMBL7544077 0.88 MAPK1 (0.42) GAAHPGDRAB9AMAPTREN
SCHEMBL7543803 0.86 CTSK (0.43) GAAHPGDRAB9AMAPTREN
SCHEMBL7540893 0.86 GAA (0.40) GAAHPGDRAB9AMAPTREN
SCHEMBL7544754 0.86 FPR2 (0.49) RAB9ARENMMP2MMP9MMP3
SCHEMBL7547312 0.86 MMP3 (0.44) GAAHPGDRAB9AMAPTREN

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