SCHEMBL6451725

SCHEMBL6451725

CCC1CCC2CC(c3ccc(C#Cc4ccc(OC(F)(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.38
RCOR1 Q9UKL0 1/20 0.38
ACACB O00763 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
EPHX2 P34913 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC6A2 P23975 1/20 0.31
MAOB P27338 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
SCHEMBL6451719 1.00 KDM1A (0.38) KDM1ARCOR1ACACBHRH3L3MBTL1
SCHEMBL6454740 0.91 CYP2C9 (0.38) KDM1ARCOR1ACACBHRH3L3MBTL1
SCHEMBL6454739 0.91 CYP2C9 (0.38) KDM1ARCOR1ACACBHRH3L3MBTL1
SCHEMBL6451154 0.89 L3MBTL1 (0.40) KDM1ARCOR1HRH3L3MBTL1EPHX2
SCHEMBL6451156 0.89 L3MBTL1 (0.40) KDM1ARCOR1HRH3L3MBTL1EPHX2
SCHEMBL6456850 0.89 RAB9A (0.37) KDM1ARCOR1ACACBHRH3L3MBTL1
SCHEMBL6456846 0.89 RAB9A (0.37) KDM1ARCOR1ACACBHRH3L3MBTL1
SCHEMBL6451829 0.88 RAB9A (0.36) KDM1ARCOR1ACACBHRH3L3MBTL1
SCHEMBL6451822 0.88 RAB9A (0.36) KDM1ARCOR1ACACBHRH3L3MBTL1
SCHEMBL9509426 0.88 KDM1A (0.42) KDM1ARCOR1ACACBL3MBTL1EPHX2

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