SCHEMBL6458445

SCHEMBL6458445

CCCC1CCC2CC(c3ccc(-c4ccc(OC(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
DRD1 P21728 1/20 0.34
MAT2A P31153 4/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
PTGER4 P35408 1/20 0.31
GAA P10253 1/20 0.31
SLC34A1 Q06495 2/20 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
SCHEMBL6458440 1.00 IDO1 (0.38) IDO1CYP2C9ALDH1A1MAPTMEN1
SCHEMBL6460797 0.96 IDO1 (0.40) IDO1CYP2C9ALDH1A1MAPTMEN1
SCHEMBL6460795 0.96 IDO1 (0.40) IDO1CYP2C9ALDH1A1MAPTMEN1
SCHEMBL6453244 0.93 IDO1 (0.37) IDO1CYP2C9ALDH1A1MAPTDRD1
SCHEMBL6453249 0.93 IDO1 (0.37) IDO1CYP2C9ALDH1A1MAPTDRD1
SCHEMBL6450906 0.92 IDO1 (0.36) IDO1MAPTDRD1MAT2ARAB9A
SCHEMBL6450901 0.92 IDO1 (0.36) IDO1MAPTDRD1MAT2ARAB9A
SCHEMBL6452574 0.91 IDO1 (0.36) IDO1MAPTDRD1MAT2ARAB9A
SCHEMBL6452565 0.91 IDO1 (0.36) IDO1MAPTDRD1MAT2ARAB9A
SCHEMBL6462333 0.91 IDO1 (0.36) IDO1MAPTDRD1MAT2ARAB9A

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