SCHEMBL9420641

SCHEMBL9420641

CCCCCCC(S)C(=O)OC(CCCCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
FAAH O00519 1/20 0.39
GPR84 Q9NQS5 7/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
ABCB1 P08183 1/20 0.35
LMNA P02545 2/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL9420758 0.98 SMPD1 (0.39) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL9420795 0.95 SMPD1 (0.40) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL9420845 0.94 SMPD1 (0.38) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL9420618 0.93 CA2 (0.37) SMPD1ZDHHC7FAAHLMNACA2
SCHEMBL9420723 0.92 SMPD1 (0.40) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL9420710 0.89 SMPD1 (0.40) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL9420614 0.88 SMPD1 (0.39) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL9420697 0.85 ZDHHC7 (0.45) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL9420732 0.84 SMPD1 (0.39) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL9420657 0.84 FAAH (0.42) ZDHHC7FAAHGPR84FFAR1MAPT

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