SCHEMBL28575486

SCHEMBL28575486

COc1oc(OC(C)=O)nc1C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
F2 P00734 1/20 0.31
GLA P06280 1/20 0.31
TNFSF11 O14788 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 2/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL5158303 0.78 ELANE (0.34) ALDH1A1
SCHEMBL28469708 0.68 NPSR1 (0.40) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL28385391 0.62 LMNA (0.36) PIK3CGALDH1A1HPGDF2GLA
SCHEMBL9512810 0.62 POLB (0.35) ALDH1A1MAPT
Lithium SCHEMBL31279809 0.60 LMNA (0.35) PIK3CGALDH1A1HPGDF2GLA
SCHEMBL28631471 0.60 LMNA (0.35) PIK3CGALDH1A1HPGDF2GLA
SCHEMBL28147201 0.60 RAB9A (0.41) ALDH1A1TNFSF11LMNAMAPTCA12
SCHEMBL21721651 0.60 KDM4E (0.38) PIK3CGLMNA
SCHEMBL29291676 0.59 LMNA (0.41) ALDH1A1HPGDGLALMNAMAPT
SCHEMBL21233046 0.59 LMNA (0.33) ALDH1A1HPGDGLALMNAMAPT

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-110240573-B Method for preparing polysubstituted oxazole compound 山东新和成精化科技有限公司 2021-06-22 CN disclosed