SCHEMBL8982128

SCHEMBL8982128

CCCCCCCCCCCCSC(=O)SCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.52
HSD17B10 Q99714 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
BLM P54132 1/20 0.52
ACHE P22303 3/20 0.47
EPHX1 P07099 1/20 0.47
CES1 P23141 7/20 0.46
FAAH O00519 4/20 0.45
PLA2G6 O60733 1/20 0.45
PPARG P37231 5/20 0.44
PPARD Q03181 5/20 0.44
PPARA Q07869 5/20 0.44
HDAC11 Q96DB2 4/20 0.44
TSHR P16473 3/20 0.44
GPR84 Q9NQS5 3/20 0.44

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
SCHEMBL14602852 1.00 CES2 (0.52) CES2HSD17B10GMNNTP53POLB
SCHEMBL11176323 1.00 CES2 (0.52) CES2HSD17B10GMNNTP53POLB
SCHEMBL10915008 0.97 CES2 (0.48) CES2HSD17B10GMNNTP53POLB
SCHEMBL30990924 0.90 CES2 (0.48) CES2HSD17B10GMNNTP53POLB
SCHEMBL11873685 0.90 CES2 (0.43) CES2HSD17B10GMNNTP53POLB
SCHEMBL6136620 0.89 NOS3 (0.50) CES2HSD17B10GMNNTP53POLB
SCHEMBL29517708 0.88 CES2 (0.47) CES2HSD17B10GMNNTP53POLB
SCHEMBL28386510 0.87 GPR84 (0.56) HSD17B10GMNNTP53POLBMAPT
SCHEMBL148183 0.86 NOS3 (0.48) CES2HSD17B10GMNNTP53POLB
SCHEMBL8657099 0.86 NOS3 (0.48) CES2HSD17B10GMNNTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582183-B1 Process to prepare dithiocarbonates from trithiocarbonates CONSIGLIO NAZIONALE RICERCHE (IT) 1996-05-29 EP disclosed
EP-0582183-A1 Process to prepare dithiocarbonates from trithiocarbonates CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1994-02-09 EP disclosed