SCHEMBL28601171

SCHEMBL28601171

CC(=COc1ccccc1)C(=O)OCCOCCOCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
RECQL P46063 1/20 0.38
THRB P10828 1/20 0.36
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 4/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APP P05067 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33

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
SCHEMBL4122674 1.00 ALDH1A1 (0.38) ALDH1A1RECQLTHRBLMNASMN1; SMN2
SCHEMBL547242 0.91 ALDH1A1 (0.42) ALDH1A1RECQLTHRBLMNASMN1; SMN2
SCHEMBL26673753 0.87 THRB (0.45) ALDH1A1THRBLMNASMN1; SMN2KMT2A
Di(Hydroxyethyl)Ether SCHEMBL29055438 0.85 ALDH1A1 (0.42) ALDH1A1RECQLTHRBLMNASMN1; SMN2
SCHEMBL28093002 0.82 LMNA (0.47) ALDH1A1RECQLTHRBLMNASMN1; SMN2
SCHEMBL27557322 0.80 TSHR (0.47) ALDH1A1RECQLLMNASMN1; SMN2KDM4E
SCHEMBL93317 0.79 MEN1 (0.51) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL12851497 0.79 MEN1 (0.51) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL28446194 0.79 KDM4E (0.46) ALDH1A1LMNASMN1; SMN2KDM4EGAA
SCHEMBL28193352 0.78 THRB (0.49) ALDH1A1RECQLTHRBLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925281-A Ophthalmic material and method for producing the same 爱博诺德(北京)医疗科技股份有限公司 2023-10-24 CN disclosed
CN-113024716-B Ophthalmic material and method for producing the same 爱博诺德(北京)医疗科技股份有限公司 2023-08-08 CN disclosed
CN-113021738-B Process for the preparation of ophthalmic materials 烟台爱博诺德医用材料有限公司 2023-06-27 CN disclosed
CN-113024716-A Ophthalmic material and method for producing same 爱博诺德(北京)医疗科技股份有限公司 2021-06-25 CN disclosed
CN-113021738-A Method for producing ophthalmic material 爱博诺德(北京)医疗科技股份有限公司 2021-06-25 CN disclosed