SCHEMBL31454786

SCHEMBL31454786

COC(=O)C1OC1c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.55
GAA P10253 1/20 0.51
EDNRB P24530 1/20 0.50
EDNRA P25101 1/20 0.50
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PPARG P37231 3/20 0.48
PPARD Q03181 3/20 0.48
ACHE P22303 1/20 0.48
PPARA Q07869 1/20 0.48
HTT P42858 1/20 0.48
CYP3A4 P08684 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL7286587 0.82 MAPK9 (0.57) MAPK9EDNRBEDNRAMAPTL3MBTL1
SCHEMBL9692292 0.78 SLC6A4 (0.49) NPC1RAB9A
SCHEMBL10707970 0.78 GAA (0.47) MAPK9GAAEDNRBEDNRAMAPT
SCHEMBL15091787 0.77 L3MBTL1 (0.65) MAPK9GAAEDNRBEDNRAMAPT
SCHEMBL8411485 0.77 GAA (0.46) MAPK9GAAEDNRBEDNRAMAPT
SCHEMBL18088844 0.76 NPSR1 (0.55) MAPK9GAAEDNRBEDNRAMAPT
SCHEMBL18076240 0.76 NPSR1 (0.55) MAPK9GAAEDNRBEDNRAMAPT
SCHEMBL9691540 0.76 TSHR (0.46) GAAMAPTL3MBTL1MEN1KMT2A
SCHEMBL9692284 0.75 PTAFR (0.57) GAAACHESMN1; SMN2RAB9A
SCHEMBL1280782 0.75 SLC6A3 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708491-A Polydisulfide polymer material containing hydroxy ester group and preparation method thereof 衢州化工新材料创新研究院 2025-03-28 CN claimed
CN-119708491-A Polydisulfide polymer material containing hydroxy ester group and preparation method thereof 衢州化工新材料创新研究院 2025-03-28 CN disclosed