SCHEMBL6452532

SCHEMBL6452532

CCC1CCC2CC(c3ccc4c(F)c(C(=O)OC)ccc4c3)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
SLC6A3 Q01959 10/20 0.32
SLC6A4 P31645 8/20 0.32
SLC6A2 P23975 4/20 0.32
PTGER4 P35408 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
DGAT1 O75907 1/20 0.32
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TRPV3 Q8NET8 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
SCHEMBL6452530 1.00 SCN9A (0.33) SCN9ASLC6A3SLC6A4SLC6A2PTGER4
SCHEMBL6456985 0.92 ALDH1A1 (0.36) SCN9ASLC6A3SLC6A4SLC6A2PTGER4
SCHEMBL6456980 0.92 ALDH1A1 (0.36) SCN9ASLC6A3SLC6A4SLC6A2PTGER4
SCHEMBL6455934 0.91 NAAA (0.32) SCN9ASLC6A3SLC6A4SLC6A2PTGER4
SCHEMBL6455927 0.91 NAAA (0.32) SCN9ASLC6A3SLC6A4SLC6A2PTGER4
SCHEMBL6456196 0.90 MAOA (0.32) SCN9ANR1H4
SCHEMBL6456188 0.90 MAOA (0.32) SCN9ANR1H4
SCHEMBL7917953 0.89 MAOA (0.34) SCN9A
SCHEMBL6463945 0.89 MAOA (0.34) SCN9A
SCHEMBL6455982 0.89 MAOA (0.34) SCN9A

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