SCHEMBL29619700

SCHEMBL29619700

OCCC(CCO)c1ccccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 11/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LIPE Q05469 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALPG P10696 1/20 0.45
PTK2B Q14289 1/20 0.45
HTR1A P08908 2/20 0.45
DRD2 P14416 1/20 0.45
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL23210255 1.00 SGMS2 (0.48) SGMS2LMNAALDH1A1LIPEMAPT
SCHEMBL23212914 0.97 SGMS2 (0.46) SGMS2LMNAALDH1A1LIPEMAPT
SCHEMBL16797631 0.85 ABCB1 (0.47) SGMS2LMNAALDH1A1LIPEMAPT
SCHEMBL23210176 0.85 SLC6A9 (0.45) LMNALIPEMAPTMAPK1TDP1
SCHEMBL29619701 0.85 SLC6A9 (0.42) LMNALIPEMAPTMAPK1TDP1
SCHEMBL29619704 0.85 SLC6A9 (0.45) LMNALIPEMAPTMAPK1TDP1
SCHEMBL23209843 0.85 SLC6A9 (0.42) LMNALIPEMAPTMAPK1TDP1
SCHEMBL23212925 0.83 SLC6A9 (0.43) LMNALIPEMAPTMAPK1TDP1
SCHEMBL11603988 0.80 MAPT (0.55) SGMS2LMNAALDH1A1LIPEMAPT
SCHEMBL29619690 0.80 MRGPRX4 (0.41) LMNALIPEMAPTMAPK1TDP1

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-119390705-A 5-Oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2025-02-07 CN disclosed
CN-114555606-B 5-Oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2024-10-01 CN disclosed
CN-114555592-B 2-Azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2024-09-06 CN disclosed
CN-114555606-A 5-oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed
CN-114555592-A 2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed