SCHEMBL7321902

SCHEMBL7321902

COc1ccc(S(=O)(=O)c2cc(C(=O)NO)c(Cc3ccccc3)c(OC)c2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.56
MMP9 P14780 17/20 0.56
MMP2 P08253 8/20 0.56
MMP8 P22894 8/20 0.56
MMP12 P39900 8/20 0.56
MMP14 P50281 8/20 0.56
MMP16 P51512 8/20 0.56
MMP1 P03956 14/20 0.53
MMP3 P08254 6/20 0.53
ADAM17 P78536 2/20 0.51
CNR1 P21554 1/20 0.46

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
SCHEMBL7316368 0.93 MMP13 (0.53) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7320799 0.93 MMP13 (0.53) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7316229 0.91 MMP13 (0.51) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7323471 0.91 MMP13 (0.51) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7323907 0.90 MMP13 (0.56) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7317813 0.90 MMP2 (0.49) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7322624 0.89 MMP13 (0.49) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7323355 0.89 MMP13 (0.55) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7311793 0.89 MMP1 (0.48) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7315919 0.89 MMP13 (0.48) MMP13MMP9MMP2MMP8MMP12

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