SCHEMBL6453570

SCHEMBL6453570

CC=C[C@@H]1CC[C@@H]2CC(c3ccc(OC)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.47
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
PDE4B Q07343 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
TUBB1 Q9H4B7 3/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
HTR7 P34969 1/20 0.31
NR3C1 P04150 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
SCHEMBL6453573 1.00 KDM1A (0.47) KDM1ASLC6A2SLC6A4SLC6A3HIF1A
SCHEMBL6453577 1.00 KDM1A (0.47) KDM1ASLC6A2SLC6A4SLC6A3HIF1A
SCHEMBL6458935 0.88 KDM1A (0.35) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL6458102 0.88 KDM1A (0.35) KDM1ASLC6A2SLC6A4SLC6A3HIF1A
SCHEMBL6458945 0.88 KDM1A (0.35) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL6458941 0.88 KDM1A (0.35) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL6458093 0.88 KDM1A (0.35) KDM1ASLC6A2SLC6A4SLC6A3HIF1A
SCHEMBL6458096 0.88 KDM1A (0.35) KDM1ASLC6A2SLC6A4SLC6A3HIF1A
SCHEMBL6451034 0.87 HTR2A (0.33) KDM1AMAOB
SCHEMBL6451040 0.87 HTR2A (0.33) KDM1AMAOB

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-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed