SCHEMBL7672012

SCHEMBL7672012

CCCOC(=O)CC(C)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.46
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46
MMP7 P09237 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
ADRA1A P35348 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 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
SCHEMBL7672550 0.90 MMP2 (0.43) MMP2MMP1MMP3MMP7MMP9
SCHEMBL7674811 0.87 SMN1; SMN2 (0.58) MMP3MMP13CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7660479 0.81 MAPT (0.44) MMP2MMP1MMP3MMP7MMP9
SCHEMBL7671882 0.79 CA2 (0.54) MMP2MMP1MMP3MMP7MMP9
SCHEMBL7667820 0.78 SMN1; SMN2 (0.53) MMP2MMP3MMP9MMP13CYP3A4
SCHEMBL7668000 0.77 ALDH1A1 (0.51) MMP2MMP1MMP3MMP7MMP9
SCHEMBL18457148 0.76 MMP2 (0.55) MMP2MMP1MMP3MMP7MMP9
SCHEMBL7667731 0.75 SMN1; SMN2 (0.47) MMP9CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL7672017 0.74 NPC1 (0.42) MMP2MMP9CYP3A4CYP2C19ALDH1A1
SCHEMBL8426446 0.74 MEN1 (0.55) CYP3A4CYP2C19ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US claimed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP claimed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO claimed
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US disclosed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP disclosed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO disclosed