SCHEMBL6891332

SCHEMBL6891332

CCCc1c(C(N)=O)oc(C(N)=O)c1CCC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SIRT1 Q96EB6 1/20 0.33
HSD17B3 P37058 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3005720 0.79 CYP1A2 (0.44) MEN1KMT2AHSD17B3
SCHEMBL28068800 0.73 POLB (0.39) POLBMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL6890917 0.68 IKBKB (0.40) POLBMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL28273750 0.68 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AHSD17B10SIRT1
SCHEMBL28613210 0.68 LDHA (0.43) POLBMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL2996746 0.67 CYP1A2 (0.41) MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL30758065 0.66 ALOX5 (0.40) POLBMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL2964481 0.65 PARP1 (0.45) MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL3179817 0.65 GRIA1 (0.44) POLBMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL11240281 0.64 POLB (0.50) POLBALDH1A1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed