SCHEMBL7367820

SCHEMBL7367820

O=C(c1ccc(Br)cc1)C(CS)CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.57
ECE1 P42892 2/20 0.56
ACE P12821 2/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
ITGB2 P05107 2/20 0.53
ICAM1 P05362 2/20 0.53
ITGAL P20701 2/20 0.53
MME P08473 2/20 0.53

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
SCHEMBL7359906 0.92 ECE1 (0.60) ECE1ACEMMP2MMP9
SCHEMBL7364214 0.90 ECE1 (0.53) FPR2ECE1ACEITGB2ICAM1
SCHEMBL7361137 0.80 ACE (0.60) ECE1ACEMMP2MMP9ITGB2
SCHEMBL7365431 0.80 ACE (0.60) ECE1ACEMMP2MMP9ITGB2
SCHEMBL6169917 0.79 MME (0.77) FPR2ECE1ACEMME
SCHEMBL7367496 0.79 ALOX15 (0.50) ECE1ACEMMP2MMP9ITGB2
SCHEMBL4193332 0.79 MME (0.77) FPR2ECE1ACEMME
SCHEMBL7361908 0.79 ALOX15 (0.50) ECE1ACEMMP2MMP9ITGB2
SCHEMBL6169258 0.79 MME (0.77) FPR2ECE1ACEMME
SCHEMBL21623645 0.79 ITGB2 (0.73) FPR2ACEMMP2MMP9ITGB2

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
EP-0888341-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-01-07 EP disclosed
WO-1997032874-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1997-09-12 WO disclosed