SCHEMBL6461265

SCHEMBL6461265

COc1ccc([C@@H]2CC[C@@H]3CC(C)CC[C@@H]3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
DRD2 P14416 1/20 0.42
ESR2 Q92731 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
GRIN2B Q13224 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HTR2C P28335 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL6461267 1.00 KDM1A (0.43) KDM1AMAOAMAOBDRD2ESR2
SCHEMBL6452768 0.95 ALDH1A1 (0.41) KDM1AMAOAMAOBDRD2ESR2
SCHEMBL6452773 0.95 ALDH1A1 (0.41) KDM1AMAOAMAOBDRD2ESR2
SCHEMBL6460760 0.91 APP (0.41) KDM1AMAOAMAOBDRD2TRPV1
SCHEMBL6460762 0.91 APP (0.41) KDM1AMAOAMAOBDRD2TRPV1
SCHEMBL6459095 0.86 SLC6A2 (0.52) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL6459089 0.86 SLC6A2 (0.52) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL12990367 0.84 ESR2 (0.53) KDM1AMAOAMAOBDRD2ESR2
SCHEMBL803244 0.82 ESR2 (0.59) KDM1AMAOAMAOBDRD2ESR2
SCHEMBL6451772 0.82 FASN (0.41) KDM1AMAOAMAOBSLC6A2SLC6A4

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