SCHEMBL6451829

SCHEMBL6451829

CCCCCC1CCC2CC(c3ccc(C#Cc4ccc(OC(F)(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
EPHX2 P34913 3/20 0.35
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
ACACB O00763 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LIPE Q05469 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CNR2 P34972 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
SCHEMBL6451822 1.00 RAB9A (0.36) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6451532 0.99 RAB9A (0.36) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6451530 0.99 RAB9A (0.36) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6454905 0.99 RAB9A (0.36) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6454908 0.99 RAB9A (0.36) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6456846 0.97 RAB9A (0.37) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6456850 0.97 RAB9A (0.37) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL14526192 0.94 EPHX2 (0.38) RAB9AEPHX2KDM1ARCOR1HRH3
SCHEMBL6454740 0.93 CYP2C9 (0.38) RAB9AEPHX2KDM1ARCOR1ACACB
SCHEMBL6454739 0.93 CYP2C9 (0.38) RAB9AEPHX2KDM1ARCOR1ACACB

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