SCHEMBL28091188

SCHEMBL28091188

C=CC(=O)OC1CCCCCC1(C)CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
EPHX1 P07099 1/20 0.31
TSHR P16473 2/20 0.30
HPGD P15428 1/20 0.30
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CYP3A4 P08684 1/20 0.30
CHRM5 P08912 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
CHRM3 P20309 1/20 0.30
DRD1 P21728 1/20 0.30
HRH2 P25021 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 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
SCHEMBL27886909 1.00 CYP2C19 (0.33) CYP2C19EPHX1TSHRHPGDABCB11
SCHEMBL23493962 0.94 HPGD (0.32) TSHRHPGD
SCHEMBL29142950 0.85
SCHEMBL28320632 0.81 MAPT (0.33) CYP2C19MAPT
SCHEMBL28319498 0.81 MAPT (0.33) CYP2C19MAPT
SCHEMBL29142948 0.80
SCHEMBL23494199 0.80 UGT2B7 (0.30) CYP2C19MAPT
SCHEMBL18051636 0.78 CYP2C19 (0.33) CYP2C19MAPT
SCHEMBL30879531 0.77
SCHEMBL10864911 0.76 MAPT (0.31) MAPT

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
CN-105980347-B Method for producing novel alicyclic ester compound, (meth) acrylic copolymer obtained by polymerizing the same, and photosensitive resin composition containing the same 三菱瓦斯化学株式会社 2019-08-16 CN disclosed
CN-105980347-A Method for producing novel alicyclic ester compound, (meth) acrylic copolymer obtained by polymerizing the same, and photosensitive resin composition containing the same 三菱瓦斯化学株式会社 2016-09-28 CN disclosed
CN-105960419-A (meth)acrylic acid ester compound and production method therefor 三菱瓦斯化学株式会社 2016-09-21 CN disclosed
CN-105934448-A (meth)acrylate compound, (meth)acrylic copolymer and photosensitive resin composition containing same 三菱瓦斯化学株式会社 2016-09-07 CN disclosed