SCHEMBL29128570

SCHEMBL29128570

CCOC(=O)C1(N=C=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
OPRM1 P35372 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
ATM Q13315 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7836602 0.92 SMN1; SMN2 (0.40) POLBALDH1A1OPRM1SMN1; SMN2LMNA
SCHEMBL7839976 0.85 TSHR (0.44) POLBALDH1A1SMN1; SMN2LMNAATM
SCHEMBL13664666 0.85 POLB (0.34) POLBALDH1A1OPRM1SMN1; SMN2LMNA
SCHEMBL27800265 0.82 ALDH1A1 (0.35) POLBALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL13667807 0.78 ALDH1A1 (0.37) POLBALDH1A1OPRM1SMN1; SMN2LMNA
SCHEMBL14629536 0.73 POLB (0.34) POLBALDH1A1OPRM1SMN1; SMN2LMNA
SCHEMBL13328607 0.73 POLB (0.34) POLBALDH1A1OPRM1SMN1; SMN2LMNA
SCHEMBL23509910 0.72 SMN1; SMN2 (0.38) POLBALDH1A1OPRM1SMN1; SMN2LMNA
SCHEMBL7547696 0.72 NPSR1 (0.47) ALDH1A1LMNAMEN1KMT2A
SCHEMBL13913464 0.72 POLB (0.33) POLBALDH1A1OPRM1SMN1; SMN2LMNA

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-117263922-A Heterocyclic compounds as AT2R agonists 武汉人福创新药物研发中心有限公司 2023-12-22 CN disclosed