SCHEMBL6458937

SCHEMBL6458937

CC1CCC2CC(c3cc(F)c(-c4ccc(OC(F)F)cc4)c(F)c3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 11/20 0.35
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
DRD1 P21728 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL6458931 1.00 MAT2A (0.35) MAT2ALMNAALDH1A1CHRNB2CHRNA7
SCHEMBL6459535 0.87 MEN1 (0.33) MAT2ACHRNB2CHRNA4
SCHEMBL6459540 0.87 MEN1 (0.33) MAT2ACHRNB2CHRNA4
SCHEMBL6456893 0.86 FASN (0.37) MAT2ALMNAALDH1A1
SCHEMBL6456899 0.86 FASN (0.37) MAT2ALMNAALDH1A1
SCHEMBL6460316 0.86 GRM2 (0.34)
SCHEMBL6460319 0.86 GRM2 (0.34)
SCHEMBL6454487 0.85 MAT2A (0.34) MAT2ALMNAHCRTR1HCRTR2
SCHEMBL6454491 0.85 MAT2A (0.34) MAT2ALMNAHCRTR1HCRTR2
SCHEMBL6453310 0.85 DRD1 (0.38) MAT2ALMNAALDH1A1DRD1

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