SCHEMBL28544663

SCHEMBL28544663

C=C(C)C(=O)OCC(O)COc1ccc(OC)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 2/20 0.48
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 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
SCHEMBL14173320 0.90 POLB (0.55) POLBMAPTLMNANPSR1ALDH1A1
SCHEMBL15713256 0.90 POLB (0.55) POLBMAPTLMNANPSR1ALDH1A1
SCHEMBL14173333 0.90 POLB (0.55) POLBMAPTLMNANPSR1ALDH1A1
SCHEMBL17319414 0.88 POLB (0.54) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL18058329 0.88 POLB (0.54) POLBMAPTLMNANPSR1ALDH1A1
SCHEMBL2032040 0.88 POLB (0.54) POLBMAPTLMNANPSR1ALDH1A1
SCHEMBL23573047 0.87 POLB (0.53) POLBMAPTLMNANPSR1ALDH1A1
SCHEMBL819038 0.87 POLB (0.53) POLBMAPTLMNANPSR1ALDH1A1
SCHEMBL11649744 0.87 CYP1A2 (0.65) POLBMAPTLMNANPSR1ALDH1A1
SCHEMBL12576375 0.87 POLB (0.60) POLBMAPTLMNANPSR1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112930487-A Ophthalmic device 鲍希与洛姆伯股份有限公司 2021-06-08 CN claimed
CN-112601987-A High water content ophthalmic devices 鲍希与洛姆伯股份有限公司 2021-04-02 CN claimed
CN-112930487-A Ophthalmic device 鲍希与洛姆伯股份有限公司 2021-06-08 CN disclosed