SCHEMBL7576943

SCHEMBL7576943

CCCCOC(=O)C(CC)NC(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PDE4A P27815 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
CCR1 P32246 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL8599743 0.88 CA2 (0.46) CYP1A2CYP2D6SMN1; SMN2KDM4EPDE4A
SCHEMBL7569870 0.87 TDP1 (0.58) CNR2CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL7571115 0.87 KMT2A (0.54) CNR2CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL7573224 0.87 CNR2 (0.58) CNR2CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL7570560 0.84 KMT2A (0.47) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL4413263 0.83 CNR2 (0.50) CNR2ALDH1A1CCR1KMT2AMEN1
SCHEMBL7570458 0.83 ALDH1A1 (0.55) CYP1A2CYP2D6SMN1; SMN2KDM4EPDE4A
SCHEMBL7567337 0.82 ELANE (0.48) CNR2CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL7570455 0.80 ALDH1A1 (0.47) CYP1A2CYP2D6SMN1; SMN2KDM4EPDE4A
SCHEMBL6136364 0.79 CNR2 (0.58) CNR2ALDH1A1LMNACCR1KMT2A

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
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed