SCHEMBL27714280

SCHEMBL27714280

COc1ccc(CSOC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
LDHA P00338 1/20 0.47
F2RL1 P55085 1/20 0.46
EPHX1 P07099 1/20 0.46
PKM P14618 1/20 0.45
FFAR1 O14842 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
APP P05067 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL27868946 0.80 CES2 (0.53) LDHAEPHX1PKMFFAR1
SCHEMBL10519643 0.79 ALDH1A1 (0.52) IDO1PKMFFAR1
SCHEMBL5028690 0.78 IDO1 (0.62) IDO1SMN1; SMN2HTTLDHAF2RL1
SCHEMBL190895 0.77 IDO1 (0.55) IDO1SMN1; SMN2APP
SCHEMBL5637946 0.76 MTNR1A (0.53) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7334996 0.75 GAA (0.57) IDO1SMN1; SMN2HTTLDHAPKM
Hydrochloric Acid SCHEMBL5797808 0.75 IDO1 (0.56) IDO1SMN1; SMN2APP
SCHEMBL8488722 0.74 IDO1 (0.62) IDO1SMN1; SMN2HTTLDHAF2RL1
SCHEMBL9861753 0.74 BCHE (0.49) IDO1SMN1; SMN2HTTLDHAEPHX1
SCHEMBL6571602 0.73 IDO1 (0.67) IDO1SMN1; SMN2HTTAPPHDAC3

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
CN-101248043-A Novel 2-azetidinone derivatives as cholesterol absorption inhibitors useful for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2008-08-20 CN disclosed
CN-101243044-A Novel 2-azetidinone derivatives as cholesterol absorption inhibitors for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2008-08-13 CN disclosed
CN-101243076-A 2-azetidinone derivatives as cholesterol absorption inhibitors for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2008-08-13 CN disclosed