SCHEMBL6890917

SCHEMBL6890917

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.37
CHUK O15111 3/20 0.32
EPHA3 P29320 3/20 0.32
PDGFRA P16234 1/20 0.32
NTRK1 P04629 1/20 0.32
MAPT P10636 2/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL29061326 0.79 GPR35 (0.44) ALDH1A1HPGDGAAL3MBTL1
SCHEMBL28068800 0.73 POLB (0.39) ALDH1A1HSD17B10ALOX15POLBL3MBTL1
SCHEMBL2689405 0.69 IKBKB (0.43) IKBKBALDH1A1HSD17B10HPGDALOX15
SCHEMBL12319458 0.69 ALDH1A1 (0.49) IKBKBALDH1A1HSD17B10HPGDALOX15
SCHEMBL28273750 0.68 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDALOX15MEN1
SCHEMBL6891332 0.68 POLB (0.34) ALDH1A1HSD17B10POLBMEN1KMT2A
SCHEMBL28613210 0.68 LDHA (0.43) ALDH1A1HSD17B10HPGDPOLBMEN1
SCHEMBL18701590 0.67 GPR35 (0.39) L3MBTL1
SCHEMBL29061340 0.67 GPR35 (0.53) ALDH1A1HSD17B10HPGDALOX15L3MBTL1
SCHEMBL3077087 0.66 PKM (0.43) IKBKBALDH1A1HSD17B10GAAMEN1

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