SCHEMBL7911061

SCHEMBL7911061

COc1ccc(C2CCC3CC(C=O)CCC3C2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.48
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PDE4A P27815 6/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
HIF1A Q16665 1/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TUBB1 Q9H4B7 2/20 0.35
ERN1 O75460 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PTGS2 P35354 1/20 0.33

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
SCHEMBL7911058 1.00 KDM1A (0.48) KDM1ASLC6A2SLC6A4SLC6A3PDE4A
SCHEMBL6464964 0.87 KDM1A (0.48) KDM1ASLC6A2SLC6A4SLC6A3PDE4A
SCHEMBL6464967 0.87 KDM1A (0.48) KDM1ASLC6A2SLC6A4SLC6A3PDE4A
SCHEMBL6455186 0.86 KDM1A (0.34) KDM1ASLC6A2SLC6A4SLC6A3PDE4A
SCHEMBL6458718 0.86 EPHX2 (0.36) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL6458713 0.86 EPHX2 (0.36) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL6455188 0.86 KDM1A (0.34) KDM1ASLC6A2SLC6A4SLC6A3PDE4A
SCHEMBL6453577 0.86 KDM1A (0.47) KDM1ASLC6A2SLC6A4SLC6A3PDE4A
SCHEMBL6453573 0.86 KDM1A (0.47) KDM1ASLC6A2SLC6A4SLC6A3PDE4A
SCHEMBL6453570 0.86 KDM1A (0.47) KDM1ASLC6A2SLC6A4SLC6A3PDE4A

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-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed