SCHEMBL7456487

SCHEMBL7456487

CC(CCC(=O)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)CC1)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.42
SPR P35270 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
HTR2A P28223 2/20 0.39
DRD2 P14416 1/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 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
SCHEMBL7452045 0.80 MGLL (0.54) LMNAKMT2AMEN1MAPTL3MBTL1
SCHEMBL7636495 0.80 EPHX2 (0.43) LMNAALDH1A1GAAEPHX2SPR
SCHEMBL7453246 0.79 MGLL (0.53) LMNAKMT2AMEN1MAPTL3MBTL1
SCHEMBL7450265 0.79 KMT2A (0.48) LMNAALDH1A1EPHX2KMT2AMEN1
SCHEMBL7511899 0.77 KMT2A (0.58) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL2931624 0.76 SPR (0.53) LMNAALDH1A1EPHX2SPRKMT2A
SCHEMBL7518089 0.75 MMP1 (0.46) LMNAALDH1A1GAAEPHX2SPR
SCHEMBL1761034 0.73 EPHX2 (0.50) LMNAGAAEPHX2SPRKMT2A
SCHEMBL7453044 0.72 MGLL (0.55) LMNAKMT2AMEN1MAPTL3MBTL1
SCHEMBL1806612 0.71 CA12 (0.62) ALDH1A1SPRKMT2AMEN1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455531-B1 METALLOPROTEINASE INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2002-09-24 US disclosed
EP-1237868-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS Darwin Discovery Limited (GB) 2002-09-11 EP disclosed
WO-2001044189-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-06-21 WO disclosed