SCHEMBL29634508

SCHEMBL29634508

O=c1ccc2c([C@@H]3CO3)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.44
ADORA3 P0DMS8 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SRD5A2 P31213 1/20 0.37
LTA4H P09960 1/20 0.36
PLA2G2A P14555 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL632919 1.00 PIK3CG (0.44) PIK3CGADORA3SIRT2ADAMTS5HTR1A
SCHEMBL865843 1.00 PIK3CG (0.44) PIK3CGADORA3SIRT2ADAMTS5HTR1A
SCHEMBL866306 1.00 PIK3CG (0.44) PIK3CGADORA3SIRT2ADAMTS5HTR1A
SCHEMBL30092323 0.88 SLC6A4 (0.43) PIK3CGHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL25666164 0.88 SLC6A4 (0.43) PIK3CGHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL25666254 0.85 HTR1A (0.47) PIK3CGADORA3HTR1ASLC6A2SLC6A4
SCHEMBL866075 0.82 ADORA3 (0.45) PIK3CGADORA3SIRT2ADAMTS5SRD5A2
SCHEMBL14355700 0.80 MAPT (0.39) MAPTKDM4EALDH1A1POLBCA9
SCHEMBL24689334 0.79 ADORA3 (0.43) PIK3CGADORA3SIRT2LTA4HPLA2G2A
SCHEMBL24689336 0.79 FEN1 (0.42) PIK3CG

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-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
CN-218339796-U Temperature-controlled synthesis reaction device for oxazine compound 安徽有吉医药科技有限公司 2023-01-20 CN disclosed
CN-114591236-A Improved preparation method of indacaterol 四川海思科制药有限公司 2022-06-07 CN disclosed
CN-109721534-B Indacaterol maleate intermediate and preparation method and application thereof 四川海思科制药有限公司 2022-05-20 CN disclosed