SCHEMBL9420604

SCHEMBL9420604

CCCCCCCC(OC)OC(=O)CS

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.44
ZDHHC7 Q9NXF8 1/20 0.43
LMNA P02545 2/20 0.42
FAAH O00519 5/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR84 Q9NQS5 4/20 0.40
FFAR1 O14842 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9420848 0.98 SMPD1 (0.42) SMPD1ZDHHC7LMNAFAAHCNR1
SCHEMBL9420632 0.95 TSHR (0.40) SMPD1ZDHHC7LMNAFAAHCNR1
SCHEMBL2106060 0.89 SMPD1 (0.46) SMPD1ZDHHC7LMNAFAAHCNR1
SCHEMBL1050084 0.87 TSHR (0.43) ZDHHC7FAAHCNR1CNR2TSHR
SCHEMBL2815454 0.85 SMPD1 (0.41) SMPD1LMNAFAAHCNR1CNR2
SCHEMBL9420733 0.84 SMPD1 (0.43) SMPD1ZDHHC7LMNAFAAHCNR1
SCHEMBL9420736 0.82 SMPD1 (0.41) SMPD1ZDHHC7LMNAFAAHCNR1
SCHEMBL8907457 0.81 SMPD1 (0.47) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL9420683 0.81 SMPD1 (0.40) SMPD1ZDHHC7LMNAFAAHCNR1
SCHEMBL28698934 0.79 SMPD1 (0.44) SMPD1ZDHHC7FAAHGPR84FFAR1

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
US-5354800-A Emulsion polymerization of addition monomers with hydrophilic and hydrophobic chain transfer agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed