SCHEMBL8747764

SCHEMBL8747764

COC12CCC(c3ccc(CC#N)cc3)(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.34
NR1H2 P55055 1/20 0.33
NPC1 O15118 1/20 0.32
THRB P10828 1/20 0.32
RAB9A P51151 1/20 0.32
FLT3 P36888 1/20 0.32
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL8747855 0.78
SCHEMBL8748112 0.75 CYP4A11 (0.41) GAAMAPT
SCHEMBL29268068 0.70 L3MBTL1 (0.40) L3MBTL1LMNAGAAMAPTHTT
SCHEMBL2154504 0.67 KMT2A (0.47) L3MBTL1LMNAGAAMAPTHTT
SCHEMBL9250153 0.67 SLC16A3 (0.35)
SCHEMBL25801684 0.67 L3MBTL1 (0.39) L3MBTL1LMNAGAAMAPTHTT
SCHEMBL9247339 0.66 ALDH1A1 (0.35) GAANPC1RAB9A
3-Methoxyphenylacetonitrile SCHEMBL103029 0.65 PKM (0.61) LMNAGAAMAPTPKMNPC1
SCHEMBL28001771 0.65 PKM (0.41) L3MBTL1GAAMAPTPKMNPC1
SCHEMBL9313131 0.65 NPC1 (0.39) L3MBTL1MAPTPKMNPC1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599732-B1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1997-03-12 EP disclosed
US-5403953-A Antiarthritic and -inflammatory agents ADIR ET COMPAGNIE (FR) 1995-04-04 US disclosed
EP-0599732-A1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-06-01 EP disclosed