SCHEMBL5226061

SCHEMBL5226061

COC(=O)c1cc(N2CCCC2=O)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 4/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5219336 0.87 TPMT (0.48) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL7230840 0.86 MEN1 (0.65) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL5219617 0.81 HSD17B10 (0.50) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL989006 0.77 VCAM1 (0.56) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL5224649 0.77 MEN1 (0.42) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL5224653 0.77 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL5223591 0.77 CYP2C9 (0.45) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5219674 0.77 CYP2C9 (0.45) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL5223383 0.76 CTSD (0.47) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL5220094 0.76 MAPT (0.42) MEN1KMT2AKDM4EHTTALDH1A1

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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed