SCHEMBL28909540

SCHEMBL28909540

COC(=O)C/C=C/C(=O)CC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
POLA1 P09884 1/20 0.48
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 4/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NFE2L2 Q16236 2/20 0.35
KEAP1 Q14145 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
OXER1 Q8TDS5 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GSK3B P49841 1/20 0.33
AKT1 P31749 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
SCHEMBL28057955 0.82 POLB (0.53) POLBPOLA1MGAMGAASI
SCHEMBL821076 0.80 TSHR (0.53) MGAMGAASIMGAM2TSHR
SCHEMBL869082 0.80 TSHR (0.53) MGAMGAASIMGAM2TSHR
SCHEMBL869080 0.80 TSHR (0.53) MGAMGAASIMGAM2TSHR
SCHEMBL1870774 0.79 HCAR2 (0.55) POLBMGAMGAASIMGAM2
SCHEMBL14287527 0.79 HCAR2 (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL212257 0.79 HCAR2 (0.55) POLBMGAMGAASIMGAM2
SCHEMBL26699378 0.79 HCAR2 (0.55) POLBMGAMGAASIMGAM2
SCHEMBL18915085 0.77 TSHR (0.42) POLBPOLA1MGAMGAASI
SCHEMBL11773823 0.77 POLB (0.67) POLBPOLA1ALDH1A1LMNAOXER1

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-115298159-A Treatment of disorders associated with oxidative stress and compounds therefor 阿德莱德大学 2022-11-04 CN disclosed