SCHEMBL8428232

SCHEMBL8428232

CC(=O)N(O)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC2CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.45
MMP2 P08253 4/20 0.45
KDM2B Q8NHM5 6/20 0.44
MMP1 P03956 8/20 0.43
MMP13 P45452 7/20 0.43
ADAM17 P78536 6/20 0.43
MMP3 P08254 2/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL8425323 0.92 MMP1 (0.50) MMP9MMP2MMP1MMP13ADAM17
SCHEMBL8428183 0.88 MMP1 (0.53) MMP9MMP2MMP1MMP13ADAM17
SCHEMBL8425264 0.79 MMP1 (0.44) MMP9MMP2MMP1MMP13ADAM17
SCHEMBL7310514 0.78 MMP1 (0.49) MMP9MMP2KDM2BMMP1MMP13
SCHEMBL5919626 0.78 MMP9 (0.67) MMP9MMP2MMP1MMP13ADAM17
Hydrochloric Acid SCHEMBL6537429 0.77 MMP9 (0.66) MMP9MMP2MMP1MMP13ADAM17
SCHEMBL7299271 0.76 MMP1 (0.66) MMP9MMP2KDM2BMMP1MMP13
SCHEMBL7308944 0.74 MMP1 (0.51) MMP9MMP2KDM2BMMP1MMP13
SCHEMBL8428266 0.71 HTR2A (0.53) MMP9MMP2KDM2BMMP1MMP13
SCHEMBL8428264 0.70 MMP2 (0.48) MMP9MMP2KDM2BMMP1ADAM17

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed