SCHEMBL6727012

SCHEMBL6727012

CN(C(CCn1c(=O)ccn(COCc2ccccc2)c1=O)C(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.50
MMP2 P08253 6/20 0.38
MMP9 P14780 6/20 0.38
PTGES O14684 3/20 0.36
NR3C1 P04150 4/20 0.35
MMP13 P45452 3/20 0.35
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.35
CTSK P43235 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL6722486 0.88 DUT (0.46) DUTMMP2MMP9PTGESNR3C1
SCHEMBL6723939 0.87 DUT (0.45) DUTMMP2MMP9PTGESNR3C1
SCHEMBL6722415 0.84 DUT (0.44) DUTMMP2MMP9PTGESNR3C1
SCHEMBL6722440 0.82 MMP2 (0.40) DUTMMP2MMP9MMP13LMNA
SCHEMBL6722449 0.79 DUT (0.41) DUTMMP2MMP9PTGESMMP13
SCHEMBL6726942 0.77 DUT (0.44) DUTMMP2MMP9PTGESNR3C1
SCHEMBL6724062 0.77 DUT (0.40) DUTMMP2MMP9MMP13MMP1
SCHEMBL6724487 0.73 MMP2 (0.49) MMP2MMP9MMP13MMP1MMP3
SCHEMBL6719609 0.71 DUT (0.56) DUTMMP2MMP9PTGESNR3C1
SCHEMBL6722526 0.71 MMP13 (0.41) MMP2MMP9MMP13LMNAMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673804-B1 PREVENTING OR TREATING ARTHRITIS (PARTICULARLY OSTEOARTHRITIS) OR INHIBITING METASTASIS, INVASION OR GROWTH OF CANCER (PARTICULARLY BREAST CANCER) SANKYO COMPANY, LIMITED (JP) 2004-01-06 US disclosed
EP-1069110-A1 SULFONAMIDE DERIVATIVES Sankyo Company Limited (JP) 2001-01-17 EP disclosed