SCHEMBL6458732

SCHEMBL6458732

CCCCCC1CC[C@@H]2C[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
SPHK1 Q9NYA1 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C9 P11712 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
MAPT P10636 3/20 0.31
GAA P10253 1/20 0.31
CNR2 P34972 2/20 0.31
GRM2 Q14416 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL6458739 1.00 RAB9A (0.33) RAB9ASPHK1MEN1KMT2ACYP2C9
SCHEMBL6456907 0.99 SPHK1 (0.34) RAB9ASPHK1MEN1KMT2ACYP2C9
SCHEMBL6450890 0.99 SPHK1 (0.34) RAB9ASPHK1MEN1KMT2ACYP2C9
SCHEMBL6456898 0.99 SPHK1 (0.34) RAB9ASPHK1MEN1KMT2ACYP2C9
SCHEMBL6450887 0.99 SPHK1 (0.34) RAB9ASPHK1MEN1KMT2ACYP2C9
SCHEMBL6452914 0.96 RAB9A (0.34) RAB9ASPHK1MEN1KMT2ACYP2C9
SCHEMBL6452908 0.96 RAB9A (0.34) RAB9ASPHK1MEN1KMT2ACYP2C9
SCHEMBL14526180 0.93 SPHK1 (0.37) RAB9ASPHK1MEN1KMT2ACYP2C9
SCHEMBL6455097 0.91 CYP2C9 (0.39) RAB9AMEN1KMT2ACYP2C9SLC6A2
SCHEMBL6455093 0.91 CYP2C9 (0.39) RAB9AMEN1KMT2ACYP2C9SLC6A2

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