SCHEMBL6455056

SCHEMBL6455056

C[C@H]1CC[C@@H]2CC(c3ccc(C(=O)Oc4cc(F)c(F)c(F)c4)cc3F)CC[C@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2B Q13224 3/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
SCN9A Q15858 2/20 0.30
SCN5A Q14524 1/20 0.30
MAOB P27338 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL6455059 1.00 MAPT (0.32) MAPTKDM4EALDH1A1KMT2AGRIN1
SCHEMBL6454150 0.90 GRIN1 (0.37) MAPTALDH1A1GRIN1GRIN2BESR1
SCHEMBL6454153 0.90 GRIN1 (0.37) MAPTALDH1A1GRIN1GRIN2BESR1
SCHEMBL6457287 0.89 TTR (0.38) MAPTKMT2AGRIN1GRIN2BESR1
SCHEMBL6457292 0.89 TTR (0.38) MAPTKMT2AGRIN1GRIN2BESR1
SCHEMBL6458873 0.89 IDH1 (0.33)
SCHEMBL6458878 0.89 IDH1 (0.33)
SCHEMBL6452087 0.88 ALDH1A1 (0.40) MAPTKDM4EALDH1A1KMT2ATDP1
SCHEMBL6455915 0.88 TDP1 (0.41) MAPTKDM4EALDH1A1KMT2AGRIN1
SCHEMBL6452092 0.88 ALDH1A1 (0.40) MAPTKDM4EALDH1A1KMT2ATDP1

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