SCHEMBL6455488

SCHEMBL6455488

CCOc1ccc(-c2ccc([C@@H]3CC[C@@H]4CC(CC)CC[C@@H]4C3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
FPR2 P25090 3/20 0.33
FFAR4 Q5NUL3 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
NAAA Q02083 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
SCHEMBL6455492 1.00 KDM1A (0.36) KDM1AGRIN1GRIN2BFPR2FFAR4
SCHEMBL6453325 0.91 KDM1A (0.34) KDM1AGRIN1GRIN2BFPR2FFAR4
SCHEMBL6453329 0.91 KDM1A (0.34) KDM1AGRIN1GRIN2BFPR2FFAR4
SCHEMBL6456207 0.89 KDM1A (0.33) KDM1AGRIN1GRIN2BFPR2FFAR4
SCHEMBL6456202 0.89 KDM1A (0.33) KDM1AGRIN1GRIN2BFPR2FFAR4
SCHEMBL6459858 0.88 KDM1A (0.33) KDM1AFPR2FFAR4
SCHEMBL6459855 0.88 KDM1A (0.33) KDM1AFPR2FFAR4
SCHEMBL17715213 0.88 KDM1A (0.37) KDM1AGRIN1GRIN2BFPR2FFAR4
SCHEMBL4402648 0.88 KDM1A (0.37) KDM1AGRIN1GRIN2BFPR2FFAR4
SCHEMBL9925159 0.88 KDM1A (0.34) KDM1AKMT2A

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