SCHEMBL6719618

SCHEMBL6719618

C=CCOC(=O)C(CCn1c(=O)c2ccccc2n(COCc2ccccc2)c1=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.37
MMP2 P08253 9/20 0.37
MMP9 P14780 8/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 3/20 0.36
MMP13 P45452 4/20 0.36
MMP3 P08254 2/20 0.36
ADAMTS4 O75173 1/20 0.35
ADAM10 O14672 3/20 0.34
MMP14 P50281 2/20 0.34
MMP1 P03956 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 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
SCHEMBL6719868 0.89 MMP2 (0.45) ADAM17MMP2MMP9HDAC8HDAC6
SCHEMBL6723460 0.89 MMP2 (0.41) ADAM17MMP2MMP9HDAC8HDAC6
SCHEMBL6724062 0.84 DUT (0.40) MMP2MMP9HDAC8HDAC6MAPT
SCHEMBL6722471 0.81 MMP13 (0.41) ADAM17MMP2MMP9MMP13MMP3
SCHEMBL6723646 0.79 CTSS (0.42) HDAC8HDAC6MAPT
SCHEMBL6722526 0.79 MMP13 (0.41) ADAM17MMP2MMP9MMP13MMP3
SCHEMBL6723870 0.77 MMP2 (0.41) ADAM17MMP2MMP9MAPTMMP13
SCHEMBL6719280 0.77 MMP2 (0.39) ADAM17MMP2MMP9MMP13MMP3
SCHEMBL6722440 0.77 MMP2 (0.40) ADAM17MMP2MMP9MMP13MMP3
SCHEMBL6726942 0.76 DUT (0.44) MMP2MMP9HDAC8HDAC6MAPT

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