SCHEMBL4895346

SCHEMBL4895346

CNC(=O)CCN(C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MMP13 P45452 7/20 0.52
MMP1 P03956 6/20 0.52
MMP9 P14780 4/20 0.52
ADAM17 P78536 2/20 0.52
HTT P42858 2/20 0.51
MMP2 P08253 6/20 0.51
MMP14 P50281 5/20 0.51
MMP8 P22894 3/20 0.51
MMP16 P51512 2/20 0.51
MMP3 P08254 2/20 0.50
ADAMTS4 O75173 2/20 0.47
ADAMTS5 Q9UNA0 2/20 0.47
PGR P06401 2/20 0.47
MEP1B Q16820 1/20 0.46
FFAR1 O14842 1/20 0.46
PTGES O14684 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTA4H P09960 1/20 0.45

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
SCHEMBL4886798 0.81 LMNA (0.56) LMNAMMP13MMP1MMP9ADAM17
SCHEMBL6324820 0.74 LMNA (0.62) LMNAMMP13MMP1MMP9ADAM17
SCHEMBL14056017 0.74 TGM2 (0.57) LMNAMMP13MMP1MMP9HTT
SCHEMBL4886776 0.73 LMNA (0.67) LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL4891235 0.73 LMNA (0.41) LMNAMMP13MMP1MMP9ADAM17
SCHEMBL4886802 0.73 LMNA (0.48) LMNAMMP13MMP1MMP9ADAM17
SCHEMBL13898783 0.72 MEP1B (0.63) MMP13MMP1MMP9MMP2MMP14
SCHEMBL5216887 0.71 ALDH1A1 (0.55) LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL6320959 0.70 ADAM17 (0.61) LMNAMMP13MMP1MMP9ADAM17
SCHEMBL13898736 0.70 BMP1 (0.48) MMP13MMP1MMP9ADAM17MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008518889-A 2008-06-05 JP claimed
EP-1812405-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-01 EP claimed
WO-2006048209-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 WO claimed