SCHEMBL7311368

SCHEMBL7311368

COc1ccc(S(=O)(=O)c2ncccc2CNc2c(C)cc(C)cc2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.43
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MMP13 P45452 6/20 0.42
MMP1 P03956 5/20 0.42
MMP9 P14780 4/20 0.42
ADAM17 P78536 2/20 0.42
MMP2 P08253 4/20 0.41
MMP8 P22894 4/20 0.41
MMP12 P39900 4/20 0.41
MMP14 P50281 4/20 0.41
MMP16 P51512 4/20 0.41
MMP3 P08254 3/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41

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
SCHEMBL7324047 0.93 GABRG2 (0.42) GABRG2GABRB3GABRA3FFAR4LMNA
SCHEMBL7321745 0.92 MMP13 (0.49) GABRG2GABRB3GABRA3FFAR4MMP13
SCHEMBL7311850 0.91 KDM4E (0.42) LMNAGAAMMP13MMP1MMP9
SCHEMBL7354583 0.91 MMP13 (0.44) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7311156 0.89 KDM4E (0.44) FFAR4MMP13MMP1MMP9ADAM17
SCHEMBL7323468 0.87 MMP1 (0.46) MMP13MMP1MMP9ADAM17KDM4E
SCHEMBL7311675 0.86 MMP1 (0.47) GAAMMP13MMP1MMP9ADAM17
SCHEMBL7316847 0.86 MMP9 (0.41) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7352954 0.86 KAT6A (0.40) GAAMMP13MMP1MMP9ADAM17
SCHEMBL7319588 0.86 MAPT (0.39) LMNAMMP13MMP1MMP9ADAM17

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