SCHEMBL7322985

SCHEMBL7322985

COc1ccc(S(=O)(=O)c2c(C)c(Cc3ccccc3)c(C(=O)O)c(N)c2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.45
MMP13 P45452 7/20 0.45
MMP9 P14780 7/20 0.45
MMP8 P22894 6/20 0.45
MMP12 P39900 6/20 0.45
MMP14 P50281 6/20 0.45
MMP16 P51512 6/20 0.45
MMP3 P08254 6/20 0.45
MMP1 P03956 6/20 0.45
ADAM17 P78536 1/20 0.45
TP53 P04637 2/20 0.43
PTGES O14684 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
TAS2R8 Q9NYW2 1/20 0.42
CXCR3 P49682 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 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
SCHEMBL7323686 0.94 ALDH1A1 (0.46) MMP2MMP13MMP9MMP8MMP12
SCHEMBL7322659 0.91 MMP2 (0.47) MMP2MMP13MMP9MMP8MMP12
SCHEMBL7322414 0.89 TP53 (0.45) MMP2MMP13MMP9MMP8MMP12
SCHEMBL7319004 0.88 MMP9 (0.48) MMP2MMP13MMP9MMP8MMP12
SCHEMBL7312473 0.86 MCL1 (0.44) MMP2MMP13MMP9MMP8MMP12
SCHEMBL7318675 0.86 MMP2 (0.45) MMP2MMP13MMP9MMP8MMP12
SCHEMBL7317410 0.85 ALDH1A1 (0.47) MMP2MMP13MMP9MMP8MMP12
SCHEMBL7321135 0.85 MMP2 (0.45) MMP2MMP13MMP9MMP8MMP12
SCHEMBL7325396 0.85 MMP2 (0.41) MMP2MMP13MMP9MMP8MMP12
SCHEMBL7323152 0.84 EGFR (0.43) MMP2MMP13MMP9MMP8MMP12

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