SCHEMBL6973520

SCHEMBL6973520

O=C1CCN(S(=O)(=O)C2(C(=O)O)CCOCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.35
MMP9 P14780 7/20 0.35
MMP13 P45452 7/20 0.35
MMP3 P08254 3/20 0.32
MMP8 P22894 3/20 0.32
MMP14 P50281 2/20 0.32
PKM P14618 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 2/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6435224 0.82 CYP3A4 (0.48) MMP2MMP9MMP13MMP3MMP8
SCHEMBL17318235 0.81 KMT2A (0.31) KMT2A
SCHEMBL6963483 0.79
SCHEMBL5717299 0.79 USP2 (0.36) MMP2MMP9MMP13MMP14PKM
SCHEMBL6272775 0.76
SCHEMBL222005 0.73 CYP2D6 (0.49) MMP2MMP9MMP13MMP3MMP8
SCHEMBL6097362 0.71 SMN1; SMN2 (0.56) MMP2MMP13CYP2C19TSHRKMT2A
SCHEMBL5717351 0.69 MMP2 (0.47) MMP2MMP9MMP13MMP3MMP8
SCHEMBL5717332 0.68 MEN1 (0.48) MMP2MMP9MMP13MMP14PKM
SCHEMBL20599686 0.67 KMT2A (0.37) CYP2C19TSHRKMT2ALMNAALDH1A1

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
EP-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP claimed