SCHEMBL7207381

SCHEMBL7207381

CC(C)(CCC(c1ccc(C[S+]([O-])CCC(C)(C)C(=O)Oc2ccccc2)cc1)S(N)(=O)=O)C(=O)Oc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP13 P45452 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PRTN3 P24158 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL6506686 0.84 ELANE (0.43) ELANEATML3MBTL1NPC1RAB9A
SCHEMBL6720403 0.78 CA2 (0.35)
SCHEMBL6509256 0.75 ELANE (0.47) ELANEATML3MBTL1MAPTTDP1
SCHEMBL6508374 0.73 ELANE (0.44) ELANEATML3MBTL1MAPTTDP1
SCHEMBL7215625 0.71
SCHEMBL6183996 0.69 RIPK1 (0.53) ELANEATML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6533915 0.69 HRH3 (0.33) ELANEALDH1A1SMN1; SMN2
SCHEMBL7202384 0.68 ELANE (0.44) ELANEATML3MBTL1MAPTTDP1
SCHEMBL2736910 0.67 ELANE (0.49) ELANEATML3MBTL1LMNAMAPT
SCHEMBL6180739 0.67 ELANE (0.43) ELANEATML3MBTL1

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
WO-2002030882-A9 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed