SCHEMBL9865738

SCHEMBL9865738

CC(COc1ccc(N2N=C3c4ccccc4OCC3CC2=O)cc1)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.38
PDE5A O76074 1/20 0.37
PTGS2 P35354 8/20 0.36
PTGS1 P23219 5/20 0.36
CYP19A1 P11511 1/20 0.32
MAOB P27338 2/20 0.32
BCHE P06276 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
Fumaric Acid SCHEMBL10445064 0.79 MAOB (0.44) PDE5AMAOBBCHEMAOAACHE
Fumaric Acid SCHEMBL9865075 0.79 MAOB (0.44) PDE5AMAOBBCHEMAOAACHE
Fumaric Acid SCHEMBL9603068 0.76 ALDH1A1 (0.34) TOP1
Fumaric Acid SCHEMBL9603065 0.76 ALDH1A1 (0.34) TOP1
SCHEMBL9602515 0.74 ALDH1A1 (0.33) TOP1ACHE
SCHEMBL9867304 0.74 MAOA (0.35) TOP1MAOBMAOAACHE
SCHEMBL9603188 0.74 MAPT (0.37) PTGS2PTGS1ACHEPDE4APDE4B
SCHEMBL9602794 0.71 CHRM2 (0.32) PTGS1PDE4APDE4BPDE4CPDE4D
Fumaric Acid SCHEMBL9866359 0.71 ALDH1A1 (0.33)
Maleic Acid SCHEMBL9866351 0.71 ALDH1A1 (0.33)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed