SCHEMBL6458205

SCHEMBL6458205

CC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
PTGS1 P23219 2/20 0.38
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
RPS6KA3 P51812 1/20 0.36
CHEK1 O14757 1/20 0.31
SLC6A4 P31645 3/20 0.30
SLC6A3 Q01959 3/20 0.30
SLC6A2 P23975 2/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL6458212 1.00 PTGS2 (0.38) PTGS2PTGS1CSNK1A1CSNK1DRPS6KA3
SCHEMBL6459690 0.90 CNR1 (0.31)
SCHEMBL6459684 0.90 CNR1 (0.31)
SCHEMBL6463255 0.88 NOTUM (0.32) PTGS2
SCHEMBL6463251 0.88 NOTUM (0.32) PTGS2
SCHEMBL6455766 0.87
SCHEMBL6455760 0.87
SCHEMBL18392539 0.87 CSNK1A1 (0.40) PTGS2PTGS1CSNK1A1CSNK1DRPS6KA3
SCHEMBL6458589 0.87 SIGMAR1 (0.37) MAPK11MAPK14
SCHEMBL6459540 0.87 MEN1 (0.33) SLC6A4SLC6A3SLC6A2

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