SCHEMBL28677669

SCHEMBL28677669

CCOC(=O)C(O)C[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 5/20 0.41
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 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
SCHEMBL8582165 0.81 CPA1 (0.42) CPA1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL28293955 0.81 ALDH1A1 (0.42) CPA1ALDH1A1LMNAMAPT
SCHEMBL28314803 0.78 CPA1 (0.40) CPA1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL21258133 0.78 CPA1 (0.44) CPA1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL28314804 0.78 CPA1 (0.40) CPA1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL27405495 0.76 CPA1 (0.43) CPA1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL22335275 0.76 CPA1 (0.43) CPA1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL1447650 0.76 CPA1 (0.35) CPA1ALDH1A1
SCHEMBL19838298 0.75 CPA1 (0.42) CPA1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL20659551 0.75 CPA1 (0.38) CPA1ALDH1A1LMNAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678738-B Method for synthesizing (2S,3S) -3-amino-bicyclo [2.2.2] octane-2-formate 深圳市华先医药科技有限公司 2021-11-30 CN claimed
CN-109678738-B Method for synthesizing (2S,3S) -3-amino-bicyclo [2.2.2] octane-2-formate 深圳市华先医药科技有限公司 2021-11-30 CN disclosed
CN-109678738-A A kind of method synthesizing (2S, 3S) -3- amino-two ring [2.2.2] octane -2- formic acid esters 深圳市华先医药科技有限公司 2019-04-26 CN disclosed