SCHEMBL7323471

SCHEMBL7323471

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.51
MMP9 P14780 17/20 0.51
MMP1 P03956 14/20 0.51
MMP2 P08253 10/20 0.51
MMP8 P22894 10/20 0.51
MMP12 P39900 10/20 0.51
MMP14 P50281 10/20 0.51
MMP16 P51512 10/20 0.51
MMP3 P08254 8/20 0.51
ADAM17 P78536 2/20 0.46
CNR1 P21554 1/20 0.42

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
SCHEMBL7324229 0.92 MMP2 (0.44) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7316368 0.91 MMP13 (0.53) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7325271 0.91 MMP2 (0.44) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7321902 0.91 MMP13 (0.56) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7311793 0.91 MMP1 (0.48) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7316297 0.90 MMP13 (0.48) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7316229 0.90 MMP13 (0.51) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7315919 0.89 MMP13 (0.48) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7322624 0.88 MMP13 (0.49) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7320799 0.88 MMP13 (0.53) MMP13MMP9MMP1MMP2MMP8

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