SCHEMBL5907697

SCHEMBL5907697

CCCCCCNC(=O)CC(C)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.60
NAAA Q02083 1/20 0.56
EPHX1 P07099 9/20 0.55
FAAH O00519 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47

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
SCHEMBL5907656 1.00 CASP2 (0.60) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL8880540 1.00 CASP2 (0.60) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5907662 1.00 CASP2 (0.60) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5907670 1.00 CASP2 (0.60) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5907644 1.00 CASP2 (0.60) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5907631 1.00 CASP2 (0.60) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5907675 1.00 CASP2 (0.60) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5907687 0.98 CASP2 (0.57) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5907669 0.92 CASP2 (0.48) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL14984047 0.92 ALDH1A1 (0.50) CASP2NAAAEPHX1MEN1KMT2A

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-20060046286-A1 Method for preparing optically active beta-butyrolactones TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-02 US disclosed