SCHEMBL7684276

SCHEMBL7684276

O=C(NO)C(O)CCS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.64
MMP13 P45452 16/20 0.60
MMP2 P08253 8/20 0.56
MMP9 P14780 5/20 0.56
MMP3 P08254 4/20 0.56
MMP14 P50281 3/20 0.56
MMP7 P09237 1/20 0.52
MMP8 P22894 2/20 0.51
ADAMTS4 O75173 1/20 0.50
MEP1B Q16820 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.50
MMP16 P51512 1/20 0.49
ADAM17 P78536 1/20 0.49

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
SCHEMBL6764872 0.86 MMP13 (0.70) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6764875 0.86 MMP13 (0.70) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6764610 0.86 MMP13 (0.70) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7360559 0.86 MMP13 (0.62) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7924711 0.79 MMP2 (0.63) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7922815 0.78 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP3
Hydrochloric Acid SCHEMBL7689947 0.78 ADAM33 (0.54) MMP1MMP13MMP2MMP9MMP3
Hydrochloric Acid SCHEMBL7301531 0.76 MMP13 (0.67) MMP1MMP13MMP2MMP9MMP3
Hydrochloric Acid SCHEMBL7301537 0.76 MMP13 (0.67) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7690202 0.76 MMP13 (0.65) MMP1MMP13MMP2MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476027-B1 N-hydroxy 4-sulfonyl butanamide compounds MONSANTO COMPANY 2002-11-05 US disclosed