SCHEMBL6723951

SCHEMBL6723951

Cc1c[nH]c(=O)n(CCC(C(=O)O)N(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.54
MMP9 P14780 7/20 0.41
MMP2 P08253 6/20 0.41
LMNA P02545 2/20 0.40
MMP1 P03956 4/20 0.39
MMP13 P45452 4/20 0.39
MMP3 P08254 2/20 0.39
MMP14 P50281 2/20 0.39
MMP12 P39900 1/20 0.39
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 1/20 0.38
HTT P42858 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
PTGES O14684 3/20 0.38
ALOX5 P09917 2/20 0.38
NR3C1 P04150 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL6722436 0.90 DUT (0.53) DUTMMP9MMP2LMNAMMP1
SCHEMBL6719102 0.88 DUT (0.51) DUTMMP9MMP2LMNAMMP1
SCHEMBL6719609 0.86 DUT (0.56) DUTMMP9MMP2LMNAMMP1
SCHEMBL6719278 0.85 DUT (0.56) DUTMMP9MMP2LMNAMMP1
SCHEMBL6719663 0.84 DUT (0.56) DUTMMP9MMP2LMNAMMP1
SCHEMBL6724138 0.83 DUT (0.55) DUTMMP9MMP2LMNAMMP1
SCHEMBL6730992 0.81 DUT (0.52) DUTMMP9MMP2LMNAMMP1
SCHEMBL6723955 0.81 DUT (0.55) DUTMMP9MMP2LMNAMMP1
SCHEMBL6722414 0.80 DUT (0.51) DUTLMNAHTT
SCHEMBL6719761 0.80 DUT (0.52) DUTHTT

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