SCHEMBL5491683

SCHEMBL5491683

CCOC(=O)/C=C/CC1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HCAR2 Q8TDS4 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL5491684 1.00 MAPT (0.49) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL15369728 0.93 MAPT (0.46) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL26293960 0.93 MAPT (0.46) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL28406190 0.93 MAPT (0.46) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL24096354 0.91 MAPT (0.45) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL26293763 0.91 MAPT (0.45) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL4163638 0.88 MAPT (0.42) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL14182272 0.88 MAPT (0.42) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL14173381 0.88 MAPT (0.42) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL31205918 0.87 MAPT (0.41) MAPTHCAR2ALDH1A1TTRDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937032-B1 SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2007-05-09 EP disclosed
EP-0937032-B1 SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2007-05-09 EP disclosed
US-6153650-A TREATMENT OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, NEUROPATHOLOGICAL DISORDERS, INFLAMMATION, AND GASTROINTESTINAL DAMAGE. WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
EP-0937032-A1 SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 1999-08-25 EP disclosed
WO-1998017627-A1 SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-04-30 WO disclosed