SCHEMBL29059882

SCHEMBL29059882

CC(C)(C)OC(=O)COC1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 1/20 0.38
PDE4D Q08499 10/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PDE4A P27815 5/20 0.32
PDE4B Q07343 5/20 0.32
PDE4C Q08493 5/20 0.32
ELANE P08246 1/20 0.32
GAA P10253 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
SCHEMBL24671886 1.00 ATF4 (0.38) ATF4PDE4DPRMT5WDR77RECQL
SCHEMBL31495268 0.81 CYP11B1 (0.36) SMN1; SMN2CYP11B1CYP11B2
SCHEMBL1813150 0.79 KMT2A (0.39) ATF4PDE4DPRMT5WDR77PDE4A
SCHEMBL1813151 0.79 KMT2A (0.39) ATF4PDE4DPRMT5WDR77PDE4A
SCHEMBL29214555 0.79 KMT2A (0.39) ATF4PDE4DPRMT5WDR77PDE4A
SCHEMBL20722022 0.78 BTK (0.36) ATF4CYP11B1CYP11B2GAA
SCHEMBL27436810 0.78 EPHX1 (0.37) CYP11B1CYP11B2GAA
SCHEMBL1118814 0.76 EPHX1 (0.40) CYP11B1CYP11B2GAA
SCHEMBL16350083 0.76 CYP11B1 (0.34) CYP11B1CYP11B2
SCHEMBL5218735 0.76

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-116669738-A Pyrimidopyridone derivative as SOS1 inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2023-08-29 CN disclosed
CN-116568689-A Polycyclic pyrimidine derivative as SOS1 inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2023-08-08 CN disclosed