SCHEMBL7547312

SCHEMBL7547312

CC(C)CC(NC(=O)Cc1ccc(NC(=S)Nc2ccccc2)cc1)C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 7/20 0.44
▸ MMP2 P08253 6/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ REN P00797 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 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
SCHEMBL7544830 0.93 MMP3 (0.47) MMP3MMP2MMP1RENGAA
SCHEMBL7541440 0.90 MMP3 (0.45) MMP3MMP2MMP1GAAMAPT
SCHEMBL7541198 0.90 CTSL (0.43) MMP3MMP2MMP1RENGAA
SCHEMBL7540944 0.90 MMP3 (0.42) MMP3MMP2MMP1RENGAA
SCHEMBL7541215 0.90 ITGB1 (0.42) MMP3MMP2MMP1RENGAA
SCHEMBL7541217 0.90 ITGB1 (0.42) MMP3MMP2MMP1RENGAA
SCHEMBL7539004 0.89 FOLH1 (0.46) MMP3MMP2MMP1RENMMP9
SCHEMBL7542034 0.89 ITGB1 (0.47) MMP3MMP2MMP1RENMMP9
SCHEMBL7540009 0.88 ITGB1 (0.45) MMP3MMP2MMP1RENITGB1
SCHEMBL7540132 0.87 ITGB1 (0.43) MMP3MMP2MMP1RENGAA

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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