SCHEMBL7570458

SCHEMBL7570458

CCCCOC(=O)C(CC)NC(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MGLL Q99685 2/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
PDE4A P27815 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
TP53 P04637 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL7570691 0.88 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2ACYP2D6SMN1; SMN2
SCHEMBL4410938 0.85 MEN1 (0.54) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL7569870 0.83 TDP1 (0.58) ALDH1A1KMT2AKDM4ECYP1A2CYP2D6
SCHEMBL7576943 0.83 CNR2 (0.51) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL7571115 0.83 KMT2A (0.54) ALDH1A1KMT2AKDM4ECYP1A2CYP2D6
SCHEMBL7573224 0.83 CNR2 (0.58) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL6136476 0.81 KMT2A (0.61) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL7567337 0.79 ELANE (0.48) MEN1KMT2AKDM4ECYP1A2CYP2D6
SCHEMBL8599743 0.79 CA2 (0.46) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL18078164 0.77 MGLL (0.54) ALDH1A1MEN1KMT2AMGLLMAPT

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