SCHEMBL6730992

SCHEMBL6730992

CN(C(CCn1c(=O)[nH]c2c(c1=O)CCC2)C(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.52
HPGD P15428 1/20 0.44
MMP9 P14780 6/20 0.39
MMP2 P08253 5/20 0.39
MMP3 P08254 3/20 0.39
MMP13 P45452 3/20 0.39
MMP1 P03956 2/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38
LMNA P02545 3/20 0.37
MMP8 P22894 2/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
PTGES O14684 1/20 0.36
HTT P42858 1/20 0.35
NR3C1 P04150 2/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL6719278 0.83 DUT (0.56) DUTMMP9MMP2MMP3MMP13
SCHEMBL6724138 0.82 DUT (0.55) DUTHPGDMMP9MMP2MMP3
SCHEMBL6723951 0.81 DUT (0.54) DUTMMP9MMP2MMP3MMP13
SCHEMBL6719663 0.81 DUT (0.56) DUTMMP9MMP2MMP3MMP13
SCHEMBL6723593 0.80 DUT (0.54) DUTMMP9MMP2MMP3MMP13
SCHEMBL6719761 0.80 DUT (0.52) DUTHPGDMAPTTP53HTT
SCHEMBL6723955 0.79 DUT (0.55) DUTMMP9MMP2MMP3MMP13
SCHEMBL6722436 0.79 DUT (0.53) DUTMMP9MMP2MMP3MMP13
SCHEMBL6719070 0.79 DUT (0.53) DUTMMP9MMP2MMP3MMP13
SCHEMBL6719609 0.78 DUT (0.56) DUTMMP9MMP2MMP3MMP13

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