SCHEMBL7672550

SCHEMBL7672550

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7672012 0.90 MMP2 (0.46) MMP2MMP3MMP13MMP1MMP7
SCHEMBL7671882 0.89 CA2 (0.54) MMP2MMP3MMP13MMP1MMP7
SCHEMBL7667820 0.88 SMN1; SMN2 (0.53) MMP2MMP3MMP13MMP9ALDH1A1
SCHEMBL7660479 0.81 MAPT (0.44) MMP2MMP3MMP13MMP1MMP7
SCHEMBL7666886 0.79 PPARG (0.51) ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL7674811 0.78 SMN1; SMN2 (0.58) MMP3MMP13HSD17B10ALDH1A1CYP2C19
SCHEMBL7672556 0.77 NAAA (0.39) ALDH1A1TSHRLMNANPSR1
SCHEMBL10447843 0.76 MMP2 (0.47) MMP2MMP3MMP13MMP1MMP7
SCHEMBL7667208 0.74 ALDH1A1 (0.58) MMP2MMP13MMP7MMP9ALDH1A1
SCHEMBL7411095 0.72 MMP1 (0.65) MMP2MMP3MMP13MMP1MMP9

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