SCHEMBL6452793

SCHEMBL6452793

CCCCC1CCC2CC(c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)cc3)CCC2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.31
CNR2 P34972 2/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL6452787 1.00 ESR2 (0.33) ESR2CYP2C9MEN1MAPK1KMT2A
SCHEMBL6462247 0.97 MAPT (0.33) ESR2CYP2C9MEN1MAPK1KMT2A
SCHEMBL6462251 0.97 MAPT (0.33) ESR2CYP2C9MEN1MAPK1KMT2A
SCHEMBL6451305 0.96 MAPT (0.35) CYP2C9MEN1MAPK1KMT2AALDH1A1
SCHEMBL6451300 0.96 MAPT (0.35) CYP2C9MEN1MAPK1KMT2AALDH1A1
SCHEMBL6456752 0.96 MAPT (0.35) CYP2C9MEN1MAPK1KMT2AALDH1A1
SCHEMBL6456758 0.96 MAPT (0.35) CYP2C9MEN1MAPK1KMT2AALDH1A1
SCHEMBL6454930 0.93 CYP2C9 (0.39) ESR2CYP2C9MEN1MAPK1KMT2A
SCHEMBL6454926 0.93 CYP2C9 (0.39) ESR2CYP2C9MEN1MAPK1KMT2A
SCHEMBL13002766 0.90 FASN (0.36)

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