SCHEMBL934477

SCHEMBL934477

CCCCCCCCCNC(=O)CI

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.67
NAAA Q02083 1/20 0.62
EPHX1 P07099 8/20 0.61
FAAH O00519 4/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52

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
SCHEMBL5501338 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL933644 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL28806490 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL935157 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL8973921 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL14231351 0.98 CASP2 (0.63) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL6040899 0.91
SCHEMBL1927840 0.89 ALDH1A1 (0.59) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL1927654 0.89 ALDH1A1 (0.59) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL18888843 0.86 FAAH (0.65) CASP2NAAAFAAH

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-20120196297-A1 MASS TAGS FOR MASS SPECTROMETRIC ANALYSIS OF IMMUNOGLOBULINS YOST RICHARD A (US) 2012-08-02 US disclosed
WO-2011008831-A2 MASS TAGS FOR SPECTROMETRIC ANALYSIS OF IMMUNOGLOBULINS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-01-20 WO disclosed