SCHEMBL4772702

SCHEMBL4772702

CCOC(=O)C(=O)C1CN(C(=O)O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 4/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM1 P11229 2/20 0.32
CHRM5 P08912 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2127522 0.85 MAPT (0.44) MAPTGAAALDH1A1NPC1KMT2A
SCHEMBL22615393 0.83 ADORA1 (0.44) MAPTALDH1A1KMT2AHPGDKDM4E
SCHEMBL4760227 0.83 ADORA1 (0.44) MAPTALDH1A1KMT2AHPGDKDM4E
SCHEMBL16516481 0.79 MAPT (0.42) MAPTL3MBTL1GAAALDH1A1CYP2D6
SCHEMBL23039821 0.77 MAPT (0.43) MAPTGAAALDH1A1NPC1KMT2A
SCHEMBL2847021 0.76 MAPT (0.39) MAPTALDH1A1KMT2AMEN1
SCHEMBL17505316 0.76 ALDH1A1 (0.40) MAPTALDH1A1KMT2AHPGDKDM4E
SCHEMBL4948411 0.76 MEN1 (0.54) MAPTL3MBTL1GAAALDH1A1LMNA
SCHEMBL542220 0.75 MEN1 (0.47) MAPTGAAALDH1A1NPC1KMT2A
SCHEMBL5109918 0.75 CYP2D6 (0.42) MAPTL3MBTL1GAAALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113767102-A Novel phenyl and pyridylureas having activity against Hepatitis B Virus (HBV) 艾库里斯有限及两合公司 2021-12-07 CN disclosed
EP-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 EP disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed