SCHEMBL28870879

SCHEMBL28870879

O=S(=O)(O)CCCCC1CCC2(CC1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.31
APP P05067 1/20 0.31
KMT2A Q03164 1/20 0.30
SCN5A Q14524 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL28409048 0.98 GPR119 (0.44) GPR119ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL3844065 0.95 GPR119 (0.41) GPR119ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL7056630 0.78 INPP5A (0.40) GPR119ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL4121215 0.75 GPR119 (0.42) GPR119KMT2A
SCHEMBL12226351 0.75 SIGMAR1 (0.39) ALDH1A1LMNAAPPKMT2A
SCHEMBL355314 0.73 SIGMAR1 (0.47) APPKMT2A
SCHEMBL2570161 0.73 APP (0.38) ALDH1A1LMNAHPGDAPPKMT2A
SCHEMBL8322595 0.73 SIGMAR1 (0.47) APPKMT2A
SCHEMBL20073870 0.73 GPR119 (0.46) GPR119ALDH1A1HPGDKMT2APKM
SCHEMBL3105507 0.72 APP (0.44) ALDH1A1LMNAMAPK1HPGDAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233863-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2022-10-25 CN disclosed