SCHEMBL5568649

SCHEMBL5568649

CN1Sc2c(ccc3c2CCCC3)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.37
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
PARP1 P09874 1/20 0.33
CYP19A1 P11511 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 2/20 0.30
TP53 P04637 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
SCHEMBL5570362 0.71 GAA (0.35)
SCHEMBL3923948 0.68 CES1 (0.35) CES1LMNAPKMPARP1
SCHEMBL1278375 0.63 BCL2L1 (0.52) CES1PARP1CYP19A1BCL2L1BAD
SCHEMBL3079019 0.62 BCL2L1 (0.39) CES1LMNAPARP1MAPTBCL2L1
SCHEMBL9461283 0.61 BCL2L1 (0.50) CES1PARP1CYP19A1BCL2L1BAD
SCHEMBL9180514 0.60 MEN1 (0.49) CES1PARP1CYP19A1MAPTALDH1A1
SCHEMBL5565920 0.60 MEN1 (0.39) LMNAPKMKDM4EALDH1A1MEN1
SCHEMBL12367273 0.60 ALOX5 (0.38) CES1LMNAPKMKDM4EBCL2L1
SCHEMBL5716785 0.59 ACHE (0.49) CES1PARP1BCL2L1BAD
SCHEMBL5565090 0.59 BRD4 (0.31) ALDH1A1TSHRHSD17B10

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
EP-1750719-A2 TREATMENT OF DISEASES ASSOCIATED WITH ALTERED LEVEL OF AMYLOID BETA PEPTIDES Boehringer Ingelheim International GmbH (DE) 2007-02-14 EP disclosed
WO-2005110422-A2 TREATMENT OF DISEASES ASSOCIATED WITH ALTERED LEVEL OF AMYLOID BETA PEPTIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed