SCHEMBL7315181

SCHEMBL7315181

CNc1ccc(C(=O)OC)c(S(=O)(=O)c2ccc(OC)cc2)c1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MMP2 P08253 9/20 0.42
MMP8 P22894 9/20 0.42
MMP12 P39900 9/20 0.42
MMP13 P45452 9/20 0.42
MMP14 P50281 9/20 0.42
MMP16 P51512 9/20 0.42
MMP9 P14780 8/20 0.42
PKM P14618 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MMP3 P08254 6/20 0.40
MMP1 P03956 5/20 0.40
ADAM17 P78536 1/20 0.40
GAA P10253 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL7311423 0.87 KDM4E (0.43) LMNAMMP2MMP8MMP12MMP13
SCHEMBL7311630 0.83 LMNA (0.51) LMNAMMP2MMP8MMP12MMP13
SCHEMBL7323234 0.81 MMP1 (0.44) LMNAMMP13MMP9KDM4EMMP1
SCHEMBL7316366 0.78 MMP13 (0.42) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7316231 0.73 MMP1 (0.44) LMNAMMP13MMP9PKMKDM4E
SCHEMBL7316400 0.71 MMP9 (0.54) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7317524 0.70 NAMPT (0.53) MMP13MMP9MMP1ADAM17GAA
SCHEMBL7316532 0.68 ALDH1A1 (0.44) LMNAMMP2MMP8MMP12MMP13
SCHEMBL5838605 0.65 KDM4E (0.47) PKMKDM4EGAAHSD17B10HPGD
SCHEMBL9390270 0.65 PKM (0.70) PKMGAARAPGEF4ALDH1A1SMN1; SMN2

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