SCHEMBL7676833

SCHEMBL7676833

O=C(C=Cc1ccccc1)OCCCN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.61
HRH3 Q9Y5N1 1/20 0.56
AKR1B10 O60218 3/20 0.55
AKR1B1 P15121 3/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ACHE P22303 4/20 0.53
BCHE P06276 3/20 0.53
MAOB P27338 3/20 0.53
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL7769407 0.87 HRH3 (0.57) HSP90AA1HRH3SMN1; SMN2ACHEBCHE
SCHEMBL6549840 0.86 HRH2 (0.54) HSP90AA1HRH3KDM4EACHEBCHE
SCHEMBL6549844 0.86 HRH2 (0.54) HSP90AA1HRH3KDM4EACHEBCHE
SCHEMBL15347088 0.81 AKR1B10 (0.73) AKR1B10AKR1B1MEN1KMT2AALDH1A1
SCHEMBL13834132 0.81 AKR1B10 (0.73) AKR1B10AKR1B1MEN1KMT2AALDH1A1
SCHEMBL12083424 0.81 AKR1B10 (0.73) AKR1B10AKR1B1MEN1KMT2AALDH1A1
SCHEMBL7680253 0.80 ACHE (0.74) KMT2AKDM4EALDH1A1ACHEBCHE
SCHEMBL13833758 0.80 AKR1B10 (0.71) AKR1B10AKR1B1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11550499 0.79 MEN1 (0.57) HSP90AA1AKR1B10AKR1B1MEN1KMT2A
SCHEMBL21203260 0.78 MAOB (0.60) HRH3MEN1KMT2AKDM4EALDH1A1

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-6500823-B1 ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES N-GENE RESEARCH LABORATORIES, INC. 2002-12-31 US claimed