SCHEMBL4737812

SCHEMBL4737812

CC1(C)CCc2cc(C(=O)C(=O)c3ccc(F)c(Br)c3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
PKLR P30613 1/20 0.43
COXFA4 O00483 1/20 0.43
RXRA P19793 1/20 0.42
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 1/20 0.39
SCN9A Q15858 2/20 0.38
SSTR5 P35346 1/20 0.38
MGAM O43451 4/20 0.37
GAA P10253 4/20 0.37
SI P14410 4/20 0.37
MGAM2 Q2M2H8 4/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SCN5A Q14524 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
DAGLA Q9Y4D2 2/20 0.36

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
SCHEMBL4734952 0.88 MAOB (0.40) RXRAMAOBSSTR5MAPTCES2
SCHEMBL4783710 0.78 MAOB (0.51) MAOBNPC1MAPTRAB9ACES2
SCHEMBL6210627 0.77 RXRA (0.50) PKMPKLRCOXFA4RXRACTSB
SCHEMBL30026892 0.77 RXRA (0.50) PKMPKLRCOXFA4RXRACTSB
SCHEMBL30195971 0.77 RXRA (0.64) PKMPKLRCOXFA4RXRACTSB
SCHEMBL3880185 0.77 RXRA (0.64) PKMPKLRCOXFA4RXRACTSB
SCHEMBL3782343 0.76 COXFA4 (0.49) PKMPKLRCOXFA4RXRACTSB
SCHEMBL4784686 0.76 CTNNB1 (0.54) MAOBNPC1MAPTRAB9ACES2
SCHEMBL12465724 0.76 COXFA4 (0.49) PKMPKLRCOXFA4RXRACTSB
SCHEMBL26054454 0.74 COXFA4 (0.47) PKMPKLRCOXFA4RXRACTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed