SCHEMBL5664985

SCHEMBL5664985

O=[C]OCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.47
LOX P28300 4/20 0.43
PSIP1 O75475 1/20 0.41
HSD11B1 P28845 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28051 0.93 PSIP1 (0.47) HTR6PSIP1HSD11B1L3MBTL1MMP1
SCHEMBL64436 0.79 ALDH1A1 (0.63) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2587720 0.79 ALDH1A1 (0.44) LOXMMP1MMP8MMP13MAPT
SCHEMBL619004 0.79 LMNA (0.41) LOXMMP8MMP13ALDH1A1CYP3A4
SCHEMBL9425545 0.78 ALDH1A1 (0.50) L3MBTL1MAPTALDH1A1HTT
SCHEMBL28865930 0.77 ALDH1A1 (0.38) LOXMMP1MMP3MMP8MMP13
SCHEMBL28932041 0.77 ALDH1A1 (0.38) LOXMMP1MMP3MMP8MMP13
SCHEMBL28166558 0.77 ALDH1A1 (0.59) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL82994 0.75 CA1 (0.44) HSD11B1MMP1MMP8MMP13MAPT
SCHEMBL453331 0.75 MMP1 (0.50) HSD11B1L3MBTL1MMP1ALDH1A1CYP3A4

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
EP-1546186-A4 METHOD FOR SYNTHESIZING PEPTIDES A & PEP INC (KR) 2006-02-08 EP disclosed
EP-1546186-A1 METHOD FOR SYNTHESIZING PEPTIDES A & Pep Inc. (KR) 2005-06-29 EP disclosed
WO-2004018501-A1 METHOD FOR SYNTHESIZING PEPTIDES A & PEP INC. (KR) 2004-03-04 WO disclosed