SCHEMBL6462253

SCHEMBL6462253

CCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(CC)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL6462256 1.00 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6453050 0.93
SCHEMBL6453042 0.93
SCHEMBL6463250 0.92 GAA (0.31) MAPTMEN1KMT2A
SCHEMBL6463247 0.92 GAA (0.31) MAPTMEN1KMT2A
SCHEMBL6452566 0.92 CYP2C9 (0.31) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6452560 0.92 CYP2C9 (0.31) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6457415 0.91 GAA (0.33) MAPT
SCHEMBL6452380 0.91 GAA (0.33) MAPT
SCHEMBL6452377 0.91 GAA (0.33) MAPT

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