SCHEMBL7325271

SCHEMBL7325271

COc1ccc(S(=O)(=O)c2cc(C(=O)O)c(Cc3ccccc3)c(OCCO)c2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.44
MMP12 P39900 14/20 0.44
MMP9 P14780 13/20 0.44
MMP13 P45452 12/20 0.44
MMP14 P50281 12/20 0.44
MMP8 P22894 11/20 0.44
MMP16 P51512 11/20 0.44
MMP3 P08254 9/20 0.44
MMP1 P03956 6/20 0.44
CNR1 P21554 2/20 0.42
ADAM17 P78536 1/20 0.42
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL7316017 0.95 MMP2 (0.43) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7324229 0.94 MMP2 (0.44) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7323471 0.91 MMP13 (0.51) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7318345 0.91 MMP2 (0.45) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7322110 0.90 MMP2 (0.46) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7317813 0.90 MMP2 (0.49) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7313017 0.90 MMP2 (0.44) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7314682 0.90 MMP2 (0.47) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7321209 0.87 MMP2 (0.41) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7318741 0.87 MMP13 (0.43) MMP2MMP12MMP9MMP13MMP14

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