SCHEMBL6453490

SCHEMBL6453490

C=CC1CCC2CC(c3ccc(OC(F)(F)F)cc3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 3/20 0.34
KDM1A O60341 2/20 0.34
RCOR1 Q9UKL0 1/20 0.34
F2R P25116 3/20 0.34
CNR1 P21554 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
DHODH Q02127 1/20 0.32
TEAD1 P28347 1/20 0.31
SLC6A4 P31645 1/20 0.31
FAAH O00519 1/20 0.31
EPHX1 P07099 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
TRPA1 O75762 1/20 0.30
GRIN2B Q13224 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
SCHEMBL6453488 1.00 L3MBTL1 (0.38) L3MBTL1HRH3MEN1KMT2AEPHX2
SCHEMBL6451971 0.96 L3MBTL1 (0.40) L3MBTL1HRH3MEN1KMT2AEPHX2
SCHEMBL6451969 0.96 L3MBTL1 (0.40) L3MBTL1HRH3MEN1KMT2AEPHX2
SCHEMBL6458304 0.86 MEN1 (0.38) L3MBTL1HRH3MEN1KMT2AEPHX2
SCHEMBL6458308 0.86 MEN1 (0.38) L3MBTL1HRH3MEN1KMT2AEPHX2
SCHEMBL6464028 0.84 HRH3 (0.37) L3MBTL1HRH3MEN1KMT2AEPHX2
SCHEMBL6464032 0.84 HRH3 (0.37) L3MBTL1HRH3MEN1KMT2AEPHX2
SCHEMBL6464035 0.84 HRH3 (0.37) L3MBTL1HRH3MEN1KMT2AEPHX2
SCHEMBL6451918 0.82 KDM1A (0.39) MEN1KMT2AKDM1ASLC6A4GRIN2B
SCHEMBL6451917 0.82 KDM1A (0.39) MEN1KMT2AKDM1ASLC6A4GRIN2B

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