SCHEMBL4812989

SCHEMBL4812989

CCCCCCCCCCCCCCCC(=O)[C](C(=O)CCCCCCCCCCCCCCC)[C@](O)(CO)C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 11/20 0.52
CES2 O00748 6/20 0.52
FAAH O00519 11/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL3778978 0.89 FAAH (0.59) CES1CES2FAAHMEN1CYP1A2
SCHEMBL3777162 0.89 FAAH (0.59) CES1CES2FAAHMEN1CYP1A2
SCHEMBL9435633 0.89 FAAH (0.59) CES1CES2FAAHMEN1CYP1A2
SCHEMBL3787603 0.89 FAAH (0.59) CES1CES2FAAHMEN1CYP1A2
SCHEMBL3777756 0.89 FAAH (0.59) CES1CES2FAAHMEN1CYP1A2
SCHEMBL8013027 0.86 CES1 (0.52) CES1CES2FAAHMEN1CYP1A2
SCHEMBL8015133 0.86 CES1 (0.52) CES1CES2FAAHMEN1CYP1A2
SCHEMBL3437239 0.86 CES1 (0.52) CES1CES2FAAHMEN1CYP1A2
SCHEMBL8015947 0.86 CES1 (0.52) CES1CES2FAAHMEN1CYP1A2
SCHEMBL4803939 0.81 FAAH (0.52) CES1CES2FAAHMEN1CYP1A2

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
US-7329795-B2 Model animals non-responsive to mycobacterial-origin lipoprotein/lipopeptide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-02-12 US disclosed
US-20060059579-A1 Model animals non-responsive to mycobacteria-origin lipoprotein/lipopeptide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-03-16 US disclosed