SCHEMBL6458308

SCHEMBL6458308

O=CC1CCC2CC(c3ccc(OC(F)(F)F)cc3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 5/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KDM1A O60341 2/20 0.34
RCOR1 Q9UKL0 1/20 0.34
F2R P25116 3/20 0.34
CNR1 P21554 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
FAAH O00519 2/20 0.33
EPHX1 P07099 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32

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
SCHEMBL6458304 1.00 MEN1 (0.38) MEN1KMT2AHRH3L3MBTL1EPHX2
SCHEMBL6453488 0.86 L3MBTL1 (0.38) MEN1KMT2AHRH3L3MBTL1EPHX2
SCHEMBL6453490 0.86 L3MBTL1 (0.38) MEN1KMT2AHRH3L3MBTL1EPHX2
SCHEMBL28706056 0.86 L3MBTL1 (0.42) MEN1KMT2AHRH3L3MBTL1EPHX2
Hydrochloric Acid SCHEMBL28705018 0.84 L3MBTL1 (0.41) MEN1KMT2AHRH3L3MBTL1EPHX2
SCHEMBL6464035 0.84 HRH3 (0.37) MEN1KMT2AHRH3L3MBTL1EPHX2
SCHEMBL6464032 0.84 HRH3 (0.37) MEN1KMT2AHRH3L3MBTL1EPHX2
SCHEMBL6464028 0.84 HRH3 (0.37) MEN1KMT2AHRH3L3MBTL1EPHX2
SCHEMBL6451969 0.83 L3MBTL1 (0.40) MEN1KMT2AHRH3L3MBTL1EPHX2
SCHEMBL6451971 0.83 L3MBTL1 (0.40) MEN1KMT2AHRH3L3MBTL1EPHX2

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