SCHEMBL6453361

SCHEMBL6453361

CCC1CCC2CC(c3ccc(C(=O)Oc4cc(F)c(C#N)c(F)c4)cc3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.35
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
SCN9A Q15858 2/20 0.32
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6453354 1.00 FASN (0.35) FASNCYP2C9ALDH1A1MAPTLMNA
SCHEMBL6464906 0.93 CYP2C9 (0.41) FASNCYP2C9ALDH1A1MAPTLMNA
SCHEMBL6464908 0.93 CYP2C9 (0.41) FASNCYP2C9ALDH1A1MAPTLMNA
SCHEMBL6452612 0.91 CYP2C9 (0.35) FASNCYP2C9ALDH1A1MAPTLMNA
SCHEMBL6452614 0.91 CYP2C9 (0.35) FASNCYP2C9ALDH1A1MAPTLMNA
SCHEMBL6457886 0.90 CYP2C9 (0.35) FASNCYP2C9ALDH1A1MAPTLMNA
SCHEMBL6457882 0.90 CYP2C9 (0.35) FASNCYP2C9ALDH1A1MAPTLMNA
SCHEMBL6452135 0.89 CYP2C9 (0.34) FASNCYP2C9ALDH1A1MAPTLMNA
SCHEMBL6459440 0.89 CYP2C9 (0.34) FASNCYP2C9ALDH1A1MAPTLMNA
SCHEMBL6452131 0.89 CYP2C9 (0.34) FASNCYP2C9ALDH1A1MAPTLMNA

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