SCHEMBL28879203

SCHEMBL28879203

CC(=O)OC(C)CC=Cc1ccccc1.c1cc2ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
GRIK1 P39086 3/20 0.46
GRIK2 Q13002 3/20 0.46
PAM P19021 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP12 P39900 1/20 0.41
CTSC P53634 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL29021115 0.82 HTR2A (0.56) HTR2AGRIK1GRIK2PAMCTSC
SCHEMBL3791375 0.81 HTR2A (0.47) HTR2AGRIK1GRIK2PAMGLA
SCHEMBL8512382 0.79 HTR2A (0.49) HTR2AGRIK1GRIK2PAMGLA
SCHEMBL7110883 0.76 HTR2A (0.63) HTR2AGRIK1GRIK2PAMTDP1
SCHEMBL7110886 0.76 HTR2A (0.63) HTR2AGRIK1GRIK2PAMTDP1
SCHEMBL14460574 0.75 HTR2A (0.44) HTR2AGRIK1GRIK2PAMGLA
SCHEMBL13235939 0.74 HTR2A (0.58) HTR2AGRIK1GRIK2PAMGLA
SCHEMBL27820312 0.74 HTR2A (0.58) HTR2AGRIK1GRIK2PAMGLA
SCHEMBL20598268 0.73 MEN1 (0.41) PAMGLATDP1
SCHEMBL8716757 0.73 MMP12 (0.56) PDCD1CD274MMP12

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-115515706-A Hybrid microcapsules comprising lignin particles 弗门尼舍有限公司 2022-12-23 CN disclosed
CN-115297958-A Microcapsules coated with polysuccinimide derivatives 弗门尼舍有限公司 2022-11-04 CN disclosed
CN-115279484-A Coacervate core-shell microcapsules 弗门尼舍有限公司 2022-11-01 CN disclosed