SCHEMBL8686102

SCHEMBL8686102

C[C@]1(C2CCCCC2)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
HSD11B1 P28845 12/20 0.35
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.33
TBXAS1 P24557 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MMP13 P45452 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8686431 1.00 APP (0.35) APPBACE1BACE2HSD11B1MAPT
SCHEMBL15974332 0.87 GAA (0.36) APPBACE1BACE2HSD11B1GAA
SCHEMBL8958230 0.87 GAA (0.36) APPBACE1BACE2HSD11B1GAA
SCHEMBL15974011 0.85 GAA (0.36) GAAMMP13RAB9ASMN1; SMN2
SCHEMBL542745 0.80 TDP1 (0.36) GAAMMP13RAB9ASMN1; SMN2
SCHEMBL542184 0.74 ADAMTS7 (0.35)
SCHEMBL7016401 0.73 HSD11B1 (0.38) APPBACE1BACE2HSD11B1MAPT
SCHEMBL15974753 0.73 APP (0.38) APPBACE1BACE2HSD11B1
SCHEMBL15974080 0.72 ALDH1A1 (0.42) APPBACE1BACE2KMT2AALDH1A1
SCHEMBL11491694 0.71 APP (0.34) APPBACE1BACE2

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-5719296-A THERAPY, PREVENTION OF AUTOIMMUNE DISEASES; PREVENTS PEPTIDE BINDING TO MAJOR HISTOCOMPATBILITY COMPLEX PROTEINS MERCK & CO., INC. (US) 1998-02-17 US claimed