SCHEMBL6453329

SCHEMBL6453329

CCCC1CCC2CC(c3ccc(-c4ccc(OCC)c(F)c4F)cc3)CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FPR2 P25090 3/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 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
SCHEMBL6453325 1.00 KDM1A (0.34) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL12032392 0.96 CYP2C9 (0.37) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL6456202 0.94 KDM1A (0.33) KDM1AFFAR4FPR2GRIN1GRIN2B
SCHEMBL6456207 0.94 KDM1A (0.33) KDM1AFFAR4FPR2GRIN1GRIN2B
SCHEMBL6459855 0.93 KDM1A (0.33) KDM1AMAPTFFAR4FPR2
SCHEMBL6459858 0.93 KDM1A (0.33) KDM1AMAPTFFAR4FPR2
SCHEMBL6457952 0.92 KDM1A (0.32) KDM1AMAPTFFAR4FPR2
SCHEMBL6464899 0.92 KDM1A (0.32) KDM1AMAPTFFAR4FPR2
SCHEMBL6457949 0.92 KDM1A (0.32) KDM1AMAPTFFAR4FPR2
SCHEMBL6464900 0.92 KDM1A (0.32) KDM1AMAPTFFAR4FPR2

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