SCHEMBL7366924

SCHEMBL7366924

COc1ccc(S(=O)(=O)C(NCC(=O)NO)c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.54
MMP3 P08254 10/20 0.54
PDE4A P27815 6/20 0.54
PDE4B Q07343 6/20 0.54
PDE4C Q08493 6/20 0.54
PDE4D Q08499 6/20 0.54
MMP1 P03956 11/20 0.54
MEP1B Q16820 1/20 0.52
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
EGFR P00533 1/20 0.48

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
SCHEMBL19732963 0.81 ALDH1A1 (0.51) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL6414410 0.79 MMP1 (0.58) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL8121331 0.78 MEP1B (0.54) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL7367930 0.77 MEP1B (0.56) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL6415300 0.74 MMP1 (0.68) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL8412098 0.73 MMP1 (0.69) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL7410575 0.72 MEP1B (0.91) MMP2MMP3MMP1MEP1BMMP13
SCHEMBL12808152 0.71 ALDH1A1 (0.70) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL19732946 0.70 LMNA (0.51) MMP2MMP1ALDH1A1LMNARAB9A
SCHEMBL6823156 0.70 MMP2 (1.00) MMP2MMP3PDE4APDE4BPDE4C

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-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed