SCHEMBL6453249

SCHEMBL6453249

CCCCC1CCC2CC(c3ccc(-c4ccc(OC(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
RAB9A P51151 2/20 0.37
DRD1 P21728 1/20 0.33
MAT2A P31153 3/20 0.32
CYP2C9 P11712 1/20 0.31
MAPT P10636 2/20 0.31
CNR2 P34972 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PTGER4 P35408 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL6453244 1.00 IDO1 (0.37) IDO1RAB9ADRD1MAT2ACYP2C9
SCHEMBL6450906 0.97 IDO1 (0.36) IDO1RAB9ADRD1MAT2AMAPT
SCHEMBL6450901 0.97 IDO1 (0.36) IDO1RAB9ADRD1MAT2AMAPT
SCHEMBL6462333 0.96 IDO1 (0.36) IDO1RAB9ADRD1MAT2AMAPT
SCHEMBL6452565 0.96 IDO1 (0.36) IDO1RAB9ADRD1MAT2AMAPT
SCHEMBL6452574 0.96 IDO1 (0.36) IDO1RAB9ADRD1MAT2AMAPT
SCHEMBL6462338 0.96 IDO1 (0.36) IDO1RAB9ADRD1MAT2AMAPT
SCHEMBL6458445 0.93 IDO1 (0.38) IDO1RAB9ADRD1MAT2ACYP2C9
SCHEMBL6458440 0.93 IDO1 (0.38) IDO1RAB9ADRD1MAT2ACYP2C9
SCHEMBL14525788 0.93 RAB9A (0.38) IDO1RAB9ACYP2C9CNR2

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