SCHEMBL6464249

SCHEMBL6464249

CCCCCC1CCC2CC(c3cc(F)c(-c4ccc(F)cc4)c(F)c3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 4/20 0.32
POLB P06746 1/20 0.32
GCGR P47871 9/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM2 Q14416 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
SCHEMBL6464244 1.00 PTGS1 (0.35) PTGS1PTGS2MAPTGAATP53
SCHEMBL6458886 0.99 PTGS1 (0.34) PTGS1PTGS2MAPTGAATP53
SCHEMBL6458881 0.99 PTGS1 (0.34) PTGS1PTGS2MAPTGAATP53
SCHEMBL6454221 0.99 PTGS1 (0.34) PTGS1PTGS2MAPTGAATP53
SCHEMBL6454223 0.99 PTGS1 (0.34) PTGS1PTGS2MAPTGAATP53
SCHEMBL6451405 0.97 PTGS1 (0.35) PTGS1PTGS2MAPTTP53POLB
SCHEMBL6451412 0.97 PTGS1 (0.35) PTGS1PTGS2MAPTTP53POLB
SCHEMBL6460361 0.92 GAA (0.32) MAPTGAATP53GCGRMEN1
SCHEMBL6460364 0.92 GAA (0.32) MAPTGAATP53GCGRMEN1
SCHEMBL6459786 0.92 PTGS2 (0.37) PTGS1PTGS2MAPTMEN1KMT2A

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