SCHEMBL7961187

SCHEMBL7961187

C[C@]1(OC(=O)C(=O)O[C@@]2(C)CCN[C@@H](c3cccc(Cl)c3)C2)CCN[C@@H](c2cccc(Cl)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
SLC9A1 P19634 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 4/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A3 Q01959 1/20 0.34
MDM2 Q00987 3/20 0.34
GSK3B P49841 1/20 0.34
GID4 Q8IVV7 1/20 0.34
HSD11B1 P28845 1/20 0.34
HDAC2 Q92769 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34

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
Oxalic Acid SCHEMBL7961185 0.79 HTT (0.38) HTTSLC9A1MEN1KMT2ATP53
SCHEMBL24366443 0.73 GID4 (0.40) MEN1KMT2AKDM1ARCOR1ALDH1A1
SCHEMBL6119918 0.72 KDM1A (0.34) TP53KDM1AALDH1A1MAPTHPGD
SCHEMBL6119978 0.72 KDM1A (0.34) TP53KDM1AALDH1A1MAPTHPGD
SCHEMBL8221834 0.70 KDM1A (0.43) HTTSLC9A1MEN1KMT2AKDM1A
SCHEMBL22467373 0.68 SLC6A3 (0.43) HTTSLC9A1TP53SLC6A3MDM2
SCHEMBL22467371 0.68 SLC6A3 (0.43) HTTSLC9A1TP53SLC6A3MDM2
SCHEMBL22490013 0.68 SLC6A3 (0.43) HTTSLC9A1TP53SLC6A3MDM2
SCHEMBL26870987 0.66 GSK3B (0.47) KMT2ATP53ALDH1A1MAPTHPGD
SCHEMBL1072730 0.65 SLC6A3 (0.54) MEN1KMT2AMAPTSLC6A3GID4

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
US-6323222-B1 COGNITION ACTIVATORS, ALZHEIMER*S DISEASE AND ENZYME INHIBITORS ADIR ET COMPAGNIE (FR) 2001-11-27 US disclosed