SCHEMBL6719663

SCHEMBL6719663

Cc1cc(=O)n(CCC(C(=O)O)N(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.56
LMNA P02545 2/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
MMP9 P14780 6/20 0.40
MMP2 P08253 5/20 0.40
MMP13 P45452 3/20 0.40
NR3C1 P04150 3/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
HTT P42858 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
PTGES O14684 4/20 0.39
ALOX5 P09917 2/20 0.39
PGR P06401 1/20 0.38

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
SCHEMBL6723955 0.91 DUT (0.55) DUTLMNAADAMTS5MMP9MMP2
SCHEMBL6722422 0.88 DUT (0.53) DUTLMNAADAMTS5MMP9MMP2
SCHEMBL6719609 0.87 DUT (0.56) DUTLMNAADAMTS5MMP9MMP2
SCHEMBL6719278 0.86 DUT (0.56) DUTLMNAADAMTS5MMP9MMP2
SCHEMBL6723951 0.84 DUT (0.54) DUTLMNAADAMTS5MMP9MMP2
SCHEMBL6724138 0.83 DUT (0.55) DUTLMNAMMP9MMP2MMP13
SCHEMBL6731210 0.82 DUT (0.51) DUTLMNAADAMTS5MMP9MMP2
SCHEMBL6722414 0.81 DUT (0.51) DUTLMNAHTT
SCHEMBL6719761 0.81 DUT (0.52) DUTHTT
SCHEMBL6730992 0.81 DUT (0.52) DUTLMNAADAMTS5MMP9MMP2

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