SCHEMBL6453053

SCHEMBL6453053

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE9A O76083 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL6453059 1.00 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6452357 0.93 PDE9A (0.33) PDE9A
SCHEMBL6452354 0.93 PDE9A (0.33) PDE9A
SCHEMBL6460361 0.92 GAA (0.32) MAPTMEN1KMT2APDE9A
SCHEMBL6460364 0.92 GAA (0.32) MAPTMEN1KMT2APDE9A
SCHEMBL6459784 0.92 PTGS2 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6459786 0.92 PTGS2 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6454859 0.91 GAA (0.33) MAPTMEN1KMT2APDE9A
SCHEMBL6461525 0.91 GAA (0.33) MAPTMEN1KMT2APDE9A
SCHEMBL6461521 0.91 GAA (0.33) MAPTMEN1KMT2APDE9A

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