SCHEMBL7434145

SCHEMBL7434145

O=C(NCc1ccccc1)C1(C(=O)NC(CCCBr)B(O)O)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.41
F2 P00734 5/20 0.39
PSMB5 P28074 3/20 0.39
PSMB8 P28062 2/20 0.39
PSMB11 A5LHX3 1/20 0.39
PSMA7 O14818 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMA1 P25786 1/20 0.39
PSMA2 P25787 1/20 0.39
PSMA3 P25788 1/20 0.39
PSMA4 P25789 1/20 0.39
PSMB9 P28065 1/20 0.39
PSMA5 P28066 1/20 0.39
PSMB4 P28070 1/20 0.39
PSMB6 P28072 1/20 0.39
LONP1 P36776 1/20 0.39
PSMB10 P40306 1/20 0.39
PSMB3 P49720 1/20 0.39
PSMB2 P49721 1/20 0.39
PSMA6 P60900 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
SCHEMBL7434149 1.00 MMP8 (0.41) MMP8F2PSMB5PSMB8PSMB11
SCHEMBL7442754 0.89 F2 (0.42) MMP8F2PSMB5PSMB8PSMB11
SCHEMBL7442760 0.89 F2 (0.42) MMP8F2PSMB5PSMB8PSMB11
SCHEMBL7438592 0.85 F2 (0.40) MMP8F2PSMB5F10
SCHEMBL7438599 0.85 F2 (0.40) MMP8F2PSMB5F10
SCHEMBL8091458 0.84 F2 (0.50) MMP8F2PSMB5F10
SCHEMBL8091462 0.84 F2 (0.50) MMP8F2PSMB5F10
SCHEMBL7440263 0.82 F2 (0.43) F2F10
SCHEMBL7440257 0.82 F2 (0.43) F2F10
SCHEMBL7432914 0.81 F2 (0.42) F2F10

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
US-5814622-A COMPOUND USEFUL AS TRYPSIN LIKE SERINE PROTEASE AS THROMBIN INHIBITORS ADIR ET COMPAGNIE (FR) 1998-09-29 US disclosed