SCHEMBL7324855

SCHEMBL7324855

COc1ccc(S(=O)(=O)c2ncccc2CNc2c(CO)cccc2C(=O)NO)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 19/20 0.48
MMP13 P45452 19/20 0.48
MMP2 P08253 6/20 0.48
MMP8 P22894 6/20 0.48
MMP12 P39900 6/20 0.48
MMP14 P50281 6/20 0.48
MMP16 P51512 6/20 0.48
MMP1 P03956 17/20 0.46
MMP3 P08254 5/20 0.46
ADAM17 P78536 13/20 0.44
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7320602 0.92 MMP9 (0.47) MMP9MMP13MMP2MMP8MMP12
SCHEMBL7318787 0.91 MMP13 (0.48) MMP9MMP13MMP2MMP8MMP12
SCHEMBL7317521 0.91 MMP13 (0.41) MMP9MMP13MMP2MMP8MMP12
SCHEMBL7315174 0.88 MMP9 (0.51) MMP9MMP13MMP2MMP8MMP12
SCHEMBL7319351 0.86 MMP13 (0.54) MMP9MMP13MMP2MMP8MMP12
SCHEMBL7321745 0.84 MMP13 (0.49) MMP9MMP13MMP2MMP8MMP12
SCHEMBL7324220 0.84 MMP13 (0.46) MMP9MMP13MMP2MMP8MMP12
SCHEMBL7318027 0.83 MMP13 (0.44) MMP9MMP13MMP2MMP8MMP12
SCHEMBL7310011 0.83 MMP13 (0.51) MMP9MMP13MMP2MMP8MMP12
SCHEMBL7319993 0.83 MMP9 (0.41) MMP9MMP13MMP2MMP8MMP12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed