SCHEMBL6456846

SCHEMBL6456846

CCCCC1CC[C@@H]2C[C@H](c3ccc(C#Cc4ccc(OC(F)(F)F)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
EPHX2 P34913 3/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
ACACB O00763 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
LIPE Q05469 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
ELOVL6 Q9H5J4 1/20 0.30
KDM2B Q8NHM5 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
SCHEMBL6456850 1.00 RAB9A (0.37) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6451822 0.97 RAB9A (0.36) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6451829 0.97 RAB9A (0.36) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6454905 0.96 RAB9A (0.36) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6454908 0.96 RAB9A (0.36) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6451530 0.96 RAB9A (0.36) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6451532 0.96 RAB9A (0.36) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6454740 0.94 CYP2C9 (0.38) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6454739 0.94 CYP2C9 (0.38) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6454956 0.90 L3MBTL1 (0.38) RAB9AEPHX2KDM1ARCOR1HRH3

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