SCHEMBL6451733

SCHEMBL6451733

C=CC1CCC2CC(c3ccc(C)cc3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.35
LMNA P02545 2/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.33
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL6451730 1.00 SLC18A3 (0.35) SLC18A3LMNAMAP1LC3BHTR2AHTR2C
SCHEMBL2272212 0.85 SLC18A3 (0.41) SLC18A3LMNAMAP1LC3BALDH1A1TP53
SCHEMBL2272215 0.85 SLC18A3 (0.41) SLC18A3LMNAMAP1LC3BALDH1A1TP53
SCHEMBL2272206 0.85 SLC18A3 (0.41) SLC18A3LMNAMAP1LC3BALDH1A1TP53
SCHEMBL6454181 0.84 HTR3A (0.38) SLC18A3LMNAMAP1LC3BALDH1A1TP53
SCHEMBL6458479 0.84 ESR2 (0.44)
SCHEMBL6457090 0.84 KDM1A (0.34) HTR2CHTR2B
SCHEMBL6458485 0.84 ESR2 (0.44)
SCHEMBL6457093 0.84 KDM1A (0.34) HTR2CHTR2B
SCHEMBL6454975 0.84 KDM1A (0.34) MAP1LC3BHTR2AHTR2CHTR2B

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