SCHEMBL6453364

SCHEMBL6453364

CCCCCC1CCC2CC(c3ccc(C#Cc4ccc(C)cc4)cc3)CCC2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
KCNH2 Q12809 2/20 0.37
RAB9A P51151 1/20 0.34
SPHK1 Q9NYA1 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 1/20 0.33
CNR2 P34972 3/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 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
SCHEMBL6453358 1.00 FFAR1 (0.39) FFAR1KCNH2RAB9ASPHK1MEN1
SCHEMBL6457261 0.99 KCNH2 (0.39) FFAR1KCNH2RAB9ASPHK1MEN1
SCHEMBL6462412 0.99 KCNH2 (0.39) FFAR1KCNH2RAB9ASPHK1MEN1
SCHEMBL6462408 0.99 KCNH2 (0.39) FFAR1KCNH2RAB9ASPHK1MEN1
SCHEMBL6457264 0.99 KCNH2 (0.39) FFAR1KCNH2RAB9ASPHK1MEN1
SCHEMBL6456129 0.96 FFAR1 (0.39) FFAR1KCNH2RAB9ASPHK1MEN1
SCHEMBL6456127 0.96 FFAR1 (0.39) FFAR1KCNH2RAB9ASPHK1MEN1
SCHEMBL11028165 0.92 SPHK1 (0.38) RAB9ASPHK1MEN1KMT2ACYP2C9
SCHEMBL6456412 0.91 FFAR1 (0.41) FFAR1KCNH2RAB9AMEN1KMT2A
SCHEMBL6456409 0.91 FFAR1 (0.41) FFAR1KCNH2RAB9AMEN1KMT2A

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