SCHEMBL4994884

SCHEMBL4994884

COC(=O)CC(O)CCOc1cccs1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
PPARG P37231 2/20 0.35
MIF P14174 1/20 0.35
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 3/20 0.34
ELANE P08246 1/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARA Q07869 1/20 0.33

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
SCHEMBL4614540 0.84 MMP12 (0.41) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4655066 0.77 RAB9A (0.50) HPGDSMN1; SMN2NPC1RAB9APPARG
SCHEMBL4612959 0.76 GPR84 (0.41) HPGDNPC1
SCHEMBL8814468 0.76 KMT2A (0.51) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL11299993 0.72 ADRA2A (0.33) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4654985 0.71 MAPT (0.45) GAASMN1; SMN2LTA4HALDH1A1
SCHEMBL10595528 0.71 KMT2A (0.37) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL1756472 0.71 MMP1 (0.39) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL2871143 0.70 CES2 (0.44) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL2871139 0.70 CES2 (0.44) HPGDGAASMN1; SMN2NPC1RAB9A

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
US-7408017-B2 Polyhydroxyalkanoate containing unit with phenylsulfanyl structure in the side chain, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and image forming method and image-forming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2008-08-05 US disclosed
US-20050250191-A1 Novel polyhydroxyalkanoate containing unit with phenylsulfanyl structure in the side chain, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and image forming method and image-forming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2005-11-10 US disclosed
US-20030013841-A1 Novel polyhydroxyalkanoate containing unit with phenylsulfanyl structure in the side chain, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and image-forming method and image-forming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2003-01-16 US disclosed
EP-1236755-A2 Novel polyhydroxyalkanoate containing unit phenylsulfanyl structure in the side cahin, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and imageforming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2002-09-04 EP disclosed