SCHEMBL6461100

SCHEMBL6461100

CCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(C(F)(F)F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.38
KDM1A O60341 1/20 0.35
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL6461104 1.00 KIF11 (0.38) KIF11KDM1ACYP11B1CYP11B2GAA
SCHEMBL6451319 1.00 KIF11 (0.38) KIF11KDM1ACYP11B1CYP11B2GAA
SCHEMBL6451322 1.00 KIF11 (0.38) KIF11KDM1ACYP11B1CYP11B2GAA
SCHEMBL6453545 0.99 KIF11 (0.38) KIF11KDM1ACYP11B1CYP11B2
SCHEMBL6453540 0.99 KIF11 (0.38) KIF11KDM1ACYP11B1CYP11B2
SCHEMBL6457058 0.96 KIF11 (0.39) KIF11KDM1ACYP11B1CYP11B2
SCHEMBL6457054 0.96 KIF11 (0.39) KIF11KDM1ACYP11B1CYP11B2
SCHEMBL6454471 0.92 KIF11 (0.40) KIF11KDM1ACYP11B1CYP11B2MAPT
SCHEMBL6454469 0.92 KIF11 (0.40) KIF11KDM1ACYP11B1CYP11B2MAPT
SCHEMBL6455475 0.90 CYP11B1 (0.36) KDM1ACYP11B1CYP11B2GAAMAPT

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