SCHEMBL6452450

SCHEMBL6452450

CCCCC1CC[C@@H]2C[C@H](c3ccc(C#Cc4cc(F)c(F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
CYP2C9 P11712 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
SCHEMBL6452454 1.00 RAB9A (0.32) RAB9ACYP2C9
SCHEMBL6451466 0.97 RAB9A (0.31) RAB9ACYP2C9
SCHEMBL6451460 0.97 RAB9A (0.31) RAB9ACYP2C9
SCHEMBL6458579 0.96 SPHK1 (0.32) RAB9A
SCHEMBL6454021 0.96 SPHK1 (0.32) RAB9A
SCHEMBL6454018 0.96 SPHK1 (0.32) RAB9A
SCHEMBL6458575 0.96 SPHK1 (0.32) RAB9A
SCHEMBL6460295 0.93 CYP2C9 (0.36) CYP2C9
SCHEMBL6460286 0.93 CYP2C9 (0.36) CYP2C9
SCHEMBL6456338 0.91 RAB9A (0.32) RAB9ACYP2C9

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