SCHEMBL6452914

SCHEMBL6452914

CCCCC1CCC2CC(c3ccc(C#Cc4ccc(F)cc4)cc3)CCC2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
TP53 P04637 4/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
CNR2 P34972 2/20 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
SCHEMBL6452908 1.00 RAB9A (0.34) RAB9ATP53MAPTPOLBCYP2C9
SCHEMBL6458732 0.96 RAB9A (0.33) RAB9ATP53MAPTPOLBCYP2C9
SCHEMBL6458739 0.96 RAB9A (0.33) RAB9ATP53MAPTPOLBCYP2C9
SCHEMBL6450887 0.95 SPHK1 (0.34) RAB9AMAPTCYP2C9SLC6A2SLC6A4
SCHEMBL6456907 0.95 SPHK1 (0.34) RAB9AMAPTCYP2C9SLC6A2SLC6A4
SCHEMBL6450890 0.95 SPHK1 (0.34) RAB9AMAPTCYP2C9SLC6A2SLC6A4
SCHEMBL6456898 0.95 SPHK1 (0.34) RAB9AMAPTCYP2C9SLC6A2SLC6A4
SCHEMBL6455093 0.93 CYP2C9 (0.39) RAB9AMAPTCYP2C9SLC6A2SLC6A4
SCHEMBL6455097 0.93 CYP2C9 (0.39) RAB9AMAPTCYP2C9SLC6A2SLC6A4
SCHEMBL14526179 0.92 CYP2C9 (0.37) RAB9ATP53MAPTPOLBCYP2C9

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