SCHEMBL28114947

SCHEMBL28114947

O=C(O)CC(=CCC(O)CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CPB1 P15086 1/20 0.41
GRIK1 P39086 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.31
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
OR51E2 Q9H255 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
SCHEMBL2338282 0.82 GRIK1 (0.42) GRIK1SLC22A6ALDH1A1LMNAOR51E2
SCHEMBL9507934 0.81 TSHR (0.48) TSHRKDM4ECPB1GRIK1CYP2C19
SCHEMBL5972992 0.80 GRIK1 (0.37) GRIK1ALDH1A1LMNAOR51E2
SCHEMBL7391134 0.80 GRIK1 (0.37) GRIK1ALDH1A1LMNAOR51E2
SCHEMBL7391128 0.80 GRIK1 (0.37) GRIK1ALDH1A1LMNAOR51E2
SCHEMBL9410934 0.78 TSHR (0.45) TSHRKDM4ECPB1GRIK1CYP2C19
SCHEMBL720315 0.78 TSHR (0.45) TSHRKDM4ECPB1GRIK1CYP2C19
SCHEMBL720316 0.78 TSHR (0.45) TSHRKDM4ECPB1GRIK1CYP2C19
Glycerin SCHEMBL2776788 0.75 GRIK1 (0.50) TSHRKDM4ECPB1GRIK1LMNA
SCHEMBL8518926 0.74 LMNA (0.36) SLC22A6ALDH1A1LMNAOR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106291776-B A kind of preparation method of the force-responsive photon crystal material based on nanometer forming technique 山东科技大学 2018-01-30 CN disclosed
CN-106226847-B A kind of preparation method of force-responsive nanometer scale photon crystal material 山东科技大学 2017-12-19 CN disclosed
CN-106226846-B A kind of preparation method of the force-responsive photon crystal material based on reversion imprint nano forming technique 山东科技大学 2017-11-07 CN disclosed
CN-106291776-A A kind of preparation method of force-responsive photon crystal material based on nanometer forming technique 山东科技大学 2017-01-04 CN disclosed
CN-106226847-A A kind of preparation method of force-responsive nanometer scale photon crystal material 山东科技大学 2016-12-14 CN disclosed
CN-106226846-A A kind of preparation method of force-responsive photon crystal material based on reversion imprint nano forming technique 山东科技大学 2016-12-14 CN disclosed