SCHEMBL28232201

SCHEMBL28232201

COC(=O)C(C)(NC(=O)Oc1ccccc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
ELANE P08246 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KCNN4 O15554 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
SLC1A3 P43003 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL28532387 0.84 ELANE (0.42) ALDH1A1ELANEGAAMEN1KMT2A
SCHEMBL15526786 0.81 ALDH1A1 (0.49) ALDH1A1ELANEGAAMEN1KMT2A
SCHEMBL1893211 0.77 ALDH1A1 (0.51) ALDH1A1ELANEGAAMEN1KMT2A
SCHEMBL28232208 0.76 DGAT1 (0.40) GAAL3MBTL1
SCHEMBL28004709 0.76 ELANE (0.54) ALDH1A1ELANEGAAMEN1KMT2A
SCHEMBL2159641 0.75 ELANE (0.48) ALDH1A1ELANEGAAMEN1KMT2A
SCHEMBL2159275 0.74 ALDH1A1 (0.49) ALDH1A1ELANEGAAMEN1KMT2A
SCHEMBL18709073 0.73 DGAT1 (0.47) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL11735907 0.72 ALDH1A1 (0.44) ALDH1A1ELANEGAAMEN1KMT2A
SCHEMBL11735912 0.72 ALDH1A1 (0.44) ALDH1A1ELANEGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299532-B Antiviral nucleoside analogue prodrug and composition and application thereof 广东东阳光药业有限公司 2020-12-22 CN disclosed
CN-108299532-A A kind of antiviral nucleoside analogue prodrug and combinations thereof, purposes 广东东阳光药业有限公司 2018-07-20 CN disclosed