SCHEMBL28870877

SCHEMBL28870877

CC(C)(CC1CCC2(CC1)OCCO2)S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
GPR119 Q8TDV5 2/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL12401055 0.79 GPR119 (0.35) LMNAMAPK1GPR119
SCHEMBL7056630 0.74 INPP5A (0.40) LMNAMAPK1GPR119ALDH1A1TSHR
SCHEMBL3844065 0.72 GPR119 (0.41) LMNAMAPK1GPR119ALDH1A1TSHR
SCHEMBL3309558 0.70 MAPK1 (0.38) LMNAMAPK1GPR119ALDH1A1TSHR
SCHEMBL12467313 0.68 GPR119 (0.39) LMNAMAPK1GPR119ALDH1A1TSHR
SCHEMBL20483703 0.68 SMN1; SMN2 (0.36) LMNAMAPK1ALDH1A1TSHRKMT2A
SCHEMBL2796951 0.68 GPR119 (0.40) LMNAMAPK1GPR119ALDH1A1TSHR
SCHEMBL102412 0.67 GPR119 (0.38) LMNAMAPK1GPR119
SCHEMBL3363728 0.67 GPR119 (0.38) LMNAMAPK1GPR119ALDH1A1TSHR
SCHEMBL1059024 0.67 LMNA (0.35) LMNAMAPK1GPR119ALDH1A1TSHR

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