SCHEMBL6455783

SCHEMBL6455783

CCCC1CC[C@@H]2C[C@H](c3ccc(-c4cc(F)c(OC)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
KDM1A O60341 2/20 0.30
SLC6A3 Q01959 1/20 0.30
FPR2 P25090 2/20 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
SCHEMBL6455786 1.00 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6457655 0.93 CNR1 (0.35) CYP2C9CNR1CNR2
SCHEMBL6457658 0.93 CNR1 (0.35) CYP2C9CNR1CNR2
SCHEMBL6456156 0.92 CNR1 (0.34) MAPTCNR1CNR2
SCHEMBL6456151 0.92 CNR1 (0.34) MAPTCNR1CNR2
SCHEMBL6451774 0.91 CNR1 (0.34) MAPTCNR1CNR2
SCHEMBL6451769 0.91 CNR1 (0.34) MAPTCNR1CNR2
SCHEMBL6453713 0.91 CNR1 (0.34) MAPTCNR1CNR2
SCHEMBL6453707 0.91 CNR1 (0.34) MAPTCNR1CNR2
SCHEMBL6461087 0.91 KDM1A (0.32) ALDH1A1KDM1ASLC6A3FPR2

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