SCHEMBL6719609

SCHEMBL6719609

CN(C(CCn1c(=O)cc[nH]c1=O)C(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.56
LMNA P02545 2/20 0.43
MMP2 P08253 7/20 0.41
MMP9 P14780 7/20 0.41
MMP13 P45452 5/20 0.41
MMP1 P03956 4/20 0.41
MMP3 P08254 3/20 0.41
MMP14 P50281 3/20 0.41
MMP12 P39900 1/20 0.41
HTT P42858 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MMP8 P22894 2/20 0.39
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
PTGES O14684 2/20 0.38
PGR P06401 2/20 0.38
MMP16 P51512 1/20 0.38
ADAM17 P78536 1/20 0.38
ALOX5 P09917 1/20 0.37
NR3C1 P04150 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
SCHEMBL6719663 0.87 DUT (0.56) DUTLMNAMMP2MMP9MMP13
SCHEMBL6723951 0.86 DUT (0.54) DUTLMNAMMP2MMP9MMP13
SCHEMBL6722436 0.85 DUT (0.53) DUTLMNAMMP2MMP9MMP13
SCHEMBL6723955 0.85 DUT (0.55) DUTLMNAMMP2MMP9MMP13
SCHEMBL6719102 0.83 DUT (0.51) DUTLMNAMMP2MMP9MMP13
SCHEMBL6722422 0.83 DUT (0.53) DUTLMNAMMP2MMP9MMP13
SCHEMBL6719278 0.82 DUT (0.56) DUTLMNAMMP2MMP9MMP13
SCHEMBL6724138 0.81 DUT (0.55) DUTLMNAMMP2MMP9MMP13
SCHEMBL6726788 0.80 DUT (0.51) DUTLMNAMMP2MMP9MMP13
SCHEMBL6731210 0.80 DUT (0.51) DUTLMNAMMP2MMP9MMP13

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