SCHEMBL7316231

SCHEMBL7316231

CNc1ccc(C(=O)O)c(S(=O)(=O)c2ccc(OC)cc2)c1CN1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.44
MMP9 P14780 4/20 0.44
MMP13 P45452 4/20 0.44
ADAM17 P78536 3/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HTR6 P50406 4/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
THRB P10828 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 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
SCHEMBL7323234 0.92 MMP1 (0.44) MMP1MMP9MMP13ADAM17HTR6
SCHEMBL7316400 0.90 MMP9 (0.54) MMP1MMP9MMP13ADAM17
SCHEMBL7316366 0.78 MMP13 (0.42) MMP1MMP9MMP13ADAM17KEAP1
SCHEMBL7313728 0.75 MMP1 (0.39) MMP1MMP9MMP13ADAM17HTR6
SCHEMBL7315181 0.73 LMNA (0.42) MMP1MMP9MMP13ADAM17LMNA
SCHEMBL7351590 0.70 MMP9 (0.41) MMP1MMP9MMP13ADAM17HTR6
SCHEMBL7318168 0.70 MMP1 (0.42) MMP1MMP9MMP13ADAM17HTR6
SCHEMBL7316642 0.69 MMP9 (0.48) MMP1MMP9MMP13ADAM17HTR6
SCHEMBL7311423 0.69 KDM4E (0.43) MMP1MMP9MMP13ADAM17LMNA
SCHEMBL7317768 0.69 MMP9 (0.45) MMP1MMP9MMP13ADAM17ALDH1A1

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