SCHEMBL4734952

SCHEMBL4734952

CC1(C)Cc2cc(C(=O)C(=O)c3ccc(F)c(Br)c3)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HTR2A P28223 2/20 0.36
SSTR5 P35346 1/20 0.36
MAPT P10636 2/20 0.35
AKR1B1 P15121 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RXRA P19793 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNH2 Q12809 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
PGR P06401 1/20 0.32
SLC9A1 P19634 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
SCHEMBL4737812 0.88 PKM (0.43) MAOBCES2CES1SSTR5MAPT
SCHEMBL10407993 0.77 MAPT (0.44) HTR2ASSTR5MAPTAKR1B1ALDH1A1
SCHEMBL2812534 0.76 RXRA (0.52) SSTR5MAPTAKR1B1ALDH1A1RXRA
SCHEMBL103150 0.76 MAPT (0.47) SSTR5MAPTAKR1B1ALDH1A1RXRA
SCHEMBL31417802 0.75 GPR183 (0.34) MAOBHTR2ASSTR5MAPTALDH1A1
SCHEMBL31417694 0.75 GPR183 (0.34) MAOBHTR2ASSTR5MAPTALDH1A1
SCHEMBL4783710 0.75 MAOB (0.51) MAOBCES2CES1MAPT
SCHEMBL4734533 0.74 RARB (0.49) MAOBCES2CES1RXRA
SCHEMBL4785756 0.74 CTNNB1 (0.49) MAOBCES2CES1
SCHEMBL4784496 0.74 CES2 (0.43) MAOBCES2CES1PGR

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
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