SCHEMBL3966889

SCHEMBL3966889

c1ccc(C(CC2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PKM P14618 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
IDO1 P14902 2/20 0.47
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CCR1 P32246 2/20 0.43
CHRM3 P20309 1/20 0.42
BCHE P06276 3/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL10453959 1.00 MEN1 (0.53) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL11715973 0.91 FFAR1 (0.44) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL8038720 0.82 SLC6A2 (0.46) MEN1KMT2APKMCTDSP1SLC6A2
SCHEMBL8467745 0.82 SLC6A3 (0.64) SLC6A2SLC6A4SLC6A3
SCHEMBL2467478 0.81 MEN1 (0.53) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL278375 0.80 GAA (0.46) IDO1GAAL3MBTL1CCR1BCHE
SCHEMBL7766277 0.80 PKM (0.55) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL3121803 0.79 MEN1 (0.54) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL2465315 0.79 PKM (0.62) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL1005727 0.79 MEN1 (0.54) MEN1KMT2APKMCTDSP1IDO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7286178-A None JP disclosed
JP-7286178-A None JP disclosed
EP-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 EP disclosed
EP-1273562-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-01-08 EP disclosed
JP-H07286178-A 4-(2-PHENYLETHYL)BICYCLOHEXANE DERIVATIVE DAINIPPON INK & CHEM INC 1995-10-31 JP disclosed
JP-H07286178-A 4-(2-PHENYLETHYL)BICYCLOHEXANE DERIVATIVE DAINIPPON INK & CHEM INC 1995-10-31 JP disclosed