SCHEMBL5685808

SCHEMBL5685808

Cc1ccc(S(=O)(=O)CCC(O)CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 5/20 0.47
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
PAX8 Q06710 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PLA2G2C Q5R387 1/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL3193732 0.85 MMP12 (0.49) KMT2AHSD11B1
SCHEMBL5683090 0.84 HSD11B1 (0.47) ALDH1A1KMT2ALMNAPAX8KDM4E
SCHEMBL6443573 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL6443583 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL7584620 0.80 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL30416754 0.79 ADRB2 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL8474920 0.78 ALDH1A1 (0.60) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL7704838 0.76 ALDH1A1 (0.67) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL7868867 0.75 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL6825821 0.74 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1253161-B1 Polyhydroxyalkanoate, its production method, charge control agent containing the polyhydroxyalkanoate, toner binder and toner, and image forming method and image forming apparatus using the toner CANON KK (JP) 2006-03-22 EP disclosed
US-6908720-B2 Polyhydroxyalkanoate, its production method, charge control agent containing the polyhydroxyalkanoate, toner binder and toner, and image forming method and image forming apparatus using the toner CANON KABUSHIKI KAISHA (JP) 2005-06-21 US disclosed
US-20030104300-A1 Novel polyhydroxyalkanoate, its production method, charge control agent containing the polyhydroxyalkanoate, toner binder and toner, and image forming method and image forming apparatus using the toner CANON KABUSHIKI KAISHA (JP) 2003-06-05 US disclosed
EP-1253161-A2 Polyhydroxyalkanoate, its production method, charge control agent containing the polyhydroxylalkanoate, toner binder and toner, and image forming method and image forming apparatus using the toner CANON KABUSHIKI KAISHA (JP) 2002-10-30 EP disclosed