SCHEMBL7318336

SCHEMBL7318336

COc1ccc(S(=O)(=O)c2ncccc2CNc2c(C(=O)O)cccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
MMP2 P08253 12/20 0.40
MMP9 P14780 12/20 0.40
MMP12 P39900 11/20 0.40
MMP13 P45452 11/20 0.40
MMP8 P22894 10/20 0.40
MMP14 P50281 9/20 0.40
MMP16 P51512 9/20 0.40
MMP3 P08254 6/20 0.40
MMP1 P03956 6/20 0.40
ADAM17 P78536 1/20 0.40
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7316579 0.92 KDM4E (0.44) KDM4EASPHKDM8MMP2MMP9
SCHEMBL7322791 0.90 MMP9 (0.41) MMP2MMP9MMP12MMP13MMP8
SCHEMBL7311156 0.86 KDM4E (0.44) KDM4EASPHKDM8MMP2MMP9
SCHEMBL7349832 0.83 MMP9 (0.41) MMP2MMP9MMP12MMP13MMP8
SCHEMBL7317521 0.83 MMP13 (0.41) KDM4EMMP2MMP9MMP12MMP13
SCHEMBL7322262 0.83 LMNA (0.43) KDM4EMMP2MMP9MMP12MMP13
SCHEMBL7322032 0.82 MMP13 (0.40) KDM4EMMP2MMP9MMP12MMP13
SCHEMBL7316350 0.82 MMP1 (0.42) KDM4EASPHKDM8MMP2MMP9
SCHEMBL7325340 0.81 HCAR2 (0.47) KDM4EASPHKDM8MMP2MMP9
SCHEMBL7316215 0.81 MMP13 (0.41) KDM4EMMP2MMP9MMP12MMP13

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