SCHEMBL6453502

SCHEMBL6453502

CCO[C@@H]1CC[C@@H]2CC(c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.33
BRAF P15056 1/20 0.32
BRD4 O60885 1/20 0.32
EP300 Q09472 1/20 0.32
PGR P06401 2/20 0.31
NAAA Q02083 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
SCHEMBL6453504 1.00 HCRTR2 (0.33) HCRTR2BRAFBRD4EP300PGR
SCHEMBL6453347 0.83 TRPV3 (0.33) PGR
SCHEMBL6453341 0.83 TRPV3 (0.33) PGR
SCHEMBL7879577 0.82 KDM1A (0.32)
SCHEMBL7879582 0.82 KDM1A (0.32)
SCHEMBL6463251 0.81 NOTUM (0.32) PGR
SCHEMBL6463255 0.81 NOTUM (0.32) PGR
SCHEMBL6460511 0.81 CYP2C9 (0.32)
SCHEMBL6460516 0.81 CYP2C9 (0.32)
SCHEMBL6453419 0.80 KDM1A (0.31)

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 3 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
JP-2001039903-A DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK & CHEM INC 2001-02-13 JP disclosed