SCHEMBL6719216

SCHEMBL6719216

C=CCOC(=O)C(CCN1C(=O)c2ccccc2C1=O)N(C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.49
MMP9 P14780 16/20 0.49
DUT P33316 1/20 0.49
MMP1 P03956 5/20 0.47
MMP14 P50281 5/20 0.47
MMP3 P08254 4/20 0.47
MMP13 P45452 4/20 0.47
ADAM17 P78536 2/20 0.43
ADAM10 O14672 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.40
MMP8 P22894 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL6719776 0.86 MMP2 (0.55) MMP2MMP9DUTMMP1MMP14
SCHEMBL6722473 0.86 MMP2 (0.55) MMP2MMP9DUTMMP1MMP14
SCHEMBL6719781 0.86 MMP2 (0.55) MMP2MMP9DUTMMP1MMP14
SCHEMBL6731361 0.85 DUT (0.46) MMP2MMP9DUTMMP1MMP14
SCHEMBL6724128 0.85 MMP2 (0.45) MMP2MMP9DUTMMP1MMP14
SCHEMBL6722425 0.85 LMNA (0.46) MMP2MMP9DUTMMP1MMP14
SCHEMBL6722457 0.84 LMNA (0.45) MMP2MMP9DUTMMP1MMP14
SCHEMBL6719593 0.81 MMP2 (0.54) MMP2MMP9DUTMMP1MMP14
SCHEMBL6722451 0.81 MMP2 (0.54) MMP2MMP9DUTMMP1MMP14
SCHEMBL7847823 0.81 DUT (0.46) MMP2MMP9DUTMMP1MMP14

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