SCHEMBL7545871

SCHEMBL7545871

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O)c1ccc(NC(=S)Nc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 1/20 0.43
▸ MMP2 P08253 2/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ MMP3 P08254 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ MME P08473 1/20 0.41
▸ CTSL P07711 2/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 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
SCHEMBL7544065 0.93 ITGB1 (0.47) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7540684 0.88 GAA (0.42) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7549214 0.88 ACE (0.46) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7545886 0.88 ITGB1 (0.47) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7539243 0.87 CNR2 (0.45) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7539503 0.86 FPR2 (0.56) RAB9AMMP3MMP1
SCHEMBL7538904 0.84 MEN1 (0.48) MMP2GAAMMP1
SCHEMBL7547312 0.83 MMP3 (0.44) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7540008 0.81 MMP3 (0.50) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7545897 0.81 ITGB1 (0.45) MMP2MMP3CTSL

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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