SCHEMBL7857911

SCHEMBL7857911

CCc1ccc(CNC(=O)[C@H](Cc2cnc3ccccc3c2)NC(=O)[C@H](N)CCCCN)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ KLKB1 P03952 8/20 0.44
▸ KLK1 P06870 2/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ PSMB1 P20618 1/20 0.41
▸ PSMB8 P28062 1/20 0.41
▸ PSMB9 P28065 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ PSMB10 P40306 1/20 0.41
▸ PSMB2 P49721 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ FCER2 P06734 1/20 0.40

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
SCHEMBL7857101 0.97 MMP9 (0.45) MMP2MMP9MMP8KLKB1KLK1
SCHEMBL8162601 0.87 MMP2 (0.50) MMP2MMP9MMP8FCER2
SCHEMBL7860837 0.82 MMP8 (0.44) MMP2MMP9MMP8FCER2
SCHEMBL7857944 0.82 MMP9 (0.45) MMP2MMP9MMP8FCER2
Trifluoroacetic Acid SCHEMBL7857833 0.82 MMP2 (0.46) MMP2MMP9MMP8MCHR1FCER2
SCHEMBL7860797 0.81 MMP9 (0.46) MMP2MMP9MMP8FCER2
SCHEMBL7857825 0.81 CALCRL (0.46) MMP2MMP9MMP8
SCHEMBL7857865 0.78 FCER2 (0.60) MMP2MMP9MMP8KLKB1FCER2
SCHEMBL7857107 0.77 MMP9 (0.46) MMP2MMP9MMP8FCER2
SCHEMBL7857847 0.76 MMP2 (0.47) MMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 — — US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 — — WO disclosed
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