SCHEMBL6458196

SCHEMBL6458196

CCC1CC[C@@H]2CC(c3cc(F)c4cc(C(=O)OC)c(F)cc4c3)CC[C@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.37
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPV3 Q8NET8 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 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
SCHEMBL6458200 1.00 SCN9A (0.37) SCN9AALDH1A1HPGDTSHRHSD17B10
SCHEMBL7917779 0.92 SCN9A (0.36) SCN9AALDH1A1HPGDTSHRHSD17B10
SCHEMBL7917774 0.92 SCN9A (0.36) SCN9AALDH1A1HPGDTSHRHSD17B10
SCHEMBL6458804 0.90 SCN9A (0.35) SCN9AALDH1A1HPGDTSHRHSD17B10
SCHEMBL6458803 0.90 SCN9A (0.35) SCN9AALDH1A1HPGDTSHRHSD17B10
SCHEMBL6460628 0.89 SCN9A (0.35) SCN9AALDH1A1HPGDTSHRHSD17B10
SCHEMBL6460631 0.89 SCN9A (0.35) SCN9AALDH1A1HPGDTSHRHSD17B10
SCHEMBL6457639 0.89 SCN9A (0.34) SCN9AALDH1A1HPGDTSHRHSD17B10
SCHEMBL6457631 0.89 SCN9A (0.34) SCN9AALDH1A1HPGDTSHRHSD17B10
SCHEMBL6460583 0.89 SCN9A (0.34) SCN9AALDH1A1HPGDTSHRHSD17B10

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