SCHEMBL7676826

SCHEMBL7676826

O=C(O)C=Cc1ccccc1CCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.48
HSP90AA1 P07900 1/20 0.48
PTGER4 P35408 4/20 0.47
PTGER3 P43115 4/20 0.47
PTGER2 P43116 4/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 1/20 0.43
TBXAS1 P24557 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGFR P43088 1/20 0.43
PTGDR Q13258 1/20 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
SCHEMBL7676821 1.00 HRH1 (0.48) HRH1HSP90AA1PTGER4PTGER3PTGER2
SCHEMBL7769402 0.83 MPO (0.46) HRH1SIGMAR1ACHE
SCHEMBL7769404 0.83 MPO (0.46) HRH1SIGMAR1ACHE
SCHEMBL6154514 0.82 HRH1 (0.50) HRH1HSP90AA1PTGER4PTGER3PTGER2
SCHEMBL6154507 0.82 HRH1 (0.50) HRH1HSP90AA1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL6550529 0.80 KEAP1 (0.39) HSP90AA1SIGMAR1KEAP1NFE2L2KDM4E
SCHEMBL6548344 0.77 MAPT (0.49) PTGER4PTGER3PTGER2KMT2AMEN1
SCHEMBL6548347 0.77 MAPT (0.49) PTGER4PTGER3PTGER2KMT2AMEN1
SCHEMBL23175040 0.76 PTGER3 (0.55) PTGER4PTGER3PTGER2KDM4ESMN1; SMN2
SCHEMBL3251665 0.76 PTGER3 (0.64) PTGER4PTGER3PTGER2ALDH1A1SMN1; SMN2

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