SCHEMBL28539475

SCHEMBL28539475

CCOC(=O)COC1CCN(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
GAA P10253 2/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CHRM1 P11229 1/20 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
SCHEMBL1971626 0.91 ITGB3 (0.45) ITGB3ITGA2BGAAKMT2AMAPT
SCHEMBL22835340 0.91 ITGB3 (0.45) ITGB3ITGA2BGAAKMT2AMAPT
SCHEMBL8912151 0.83 ITGB3 (0.46) ITGB3ITGA2BGAAKMT2AMAPT
SCHEMBL20120713 0.83 KMT2A (0.40) ITGB3ITGA2BGAAKMT2AL3MBTL1
SCHEMBL2013070 0.83 ITGB3 (0.49) ITGB3ITGA2BGAAKMT2AL3MBTL1
SCHEMBL17672505 0.83 GAA (0.41) GAAKMT2AMAPTTHRBATM
SCHEMBL4115177 0.82 ALDH1A1 (0.43) ITGB3ITGA2BKMT2AL3MBTL1ALDH1A1
SCHEMBL7017334 0.81 ITGB3 (0.42) ITGB3ITGA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL2008270 0.81 ITGB3 (0.47) ITGB3ITGA2BGAAL3MBTL1ALDH1A1
SCHEMBL6319049 0.81 HPGD (0.46) ITGB3ITGA2BGAASMN1; SMN2

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
WO-2023025159-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海领泰生物医药科技有限公司 2023-03-02 WO disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed