SCHEMBL6462338

SCHEMBL6462338

CCCCCCC1CCC2CC(c3ccc(-c4ccc(OC(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CNR2 P34972 7/20 0.33
SPHK1 Q9NYA1 2/20 0.33
DRD1 P21728 1/20 0.32
MAT2A P31153 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
SCHEMBL6452565 1.00 IDO1 (0.36) IDO1RAB9AGAAMAPTCNR2
SCHEMBL6462333 1.00 IDO1 (0.36) IDO1RAB9AGAAMAPTCNR2
SCHEMBL6452574 1.00 IDO1 (0.36) IDO1RAB9AGAAMAPTCNR2
SCHEMBL6450901 0.99 IDO1 (0.36) IDO1RAB9AGAAMAPTCNR2
SCHEMBL6450906 0.99 IDO1 (0.36) IDO1RAB9AGAAMAPTCNR2
SCHEMBL6453244 0.96 IDO1 (0.37) IDO1RAB9AGAAMAPTCNR2
SCHEMBL6453249 0.96 IDO1 (0.37) IDO1RAB9AGAAMAPTCNR2
SCHEMBL14525788 0.96 RAB9A (0.38) IDO1RAB9ACNR2SPHK1
SCHEMBL6458440 0.91 IDO1 (0.38) IDO1RAB9AGAAMAPTDRD1
SCHEMBL6458445 0.91 IDO1 (0.38) IDO1RAB9AGAAMAPTDRD1

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