SCHEMBL6453718

SCHEMBL6453718

CCCCCC1CCC2CC(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 3/20 0.36
SCN9A Q15858 1/20 0.36
KDM1A O60341 2/20 0.36
RCOR1 Q9UKL0 1/20 0.36
RAB9A P51151 1/20 0.36
FASN P49327 1/20 0.36
MAOB P27338 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LIPE Q05469 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CYP2C9 P11712 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL6453715 1.00 L3MBTL1 (0.37) L3MBTL1EPHX2SCN9AKDM1ARCOR1
SCHEMBL6459041 0.99 L3MBTL1 (0.36) L3MBTL1EPHX2SCN9AKDM1ARCOR1
SCHEMBL6453161 0.99 L3MBTL1 (0.36) L3MBTL1EPHX2SCN9AKDM1ARCOR1
SCHEMBL6453165 0.99 L3MBTL1 (0.36) L3MBTL1EPHX2SCN9AKDM1ARCOR1
SCHEMBL6459045 0.99 L3MBTL1 (0.36) L3MBTL1EPHX2SCN9AKDM1ARCOR1
SCHEMBL6454956 0.97 L3MBTL1 (0.38) L3MBTL1EPHX2SCN9AKDM1ARCOR1
SCHEMBL6454962 0.97 L3MBTL1 (0.38) L3MBTL1EPHX2SCN9AKDM1ARCOR1
SCHEMBL14526192 0.97 EPHX2 (0.38) L3MBTL1EPHX2KDM1ARCOR1RAB9A
SCHEMBL6450978 0.92 CYP2C9 (0.40) L3MBTL1EPHX2KDM1ARCOR1RAB9A
SCHEMBL6450975 0.92 CYP2C9 (0.40) L3MBTL1EPHX2KDM1ARCOR1RAB9A

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