SCHEMBL28544159

SCHEMBL28544159

COP(=O)(OC)C(C)(C)C/C=C/C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.34
GABRR2 P28476 2/20 0.34
BLM P54132 2/20 0.34
GABRR3 A8MPY1 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCAR2 Q8TDS4 2/20 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
SCHEMBL28907317 0.82 HCAR2 (0.36) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL3023205 0.71 TSHR (0.46) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL21521060 0.71 TSHR (0.46) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL2467206 0.71 TSHR (0.46) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL2467205 0.71 TSHR (0.46) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL3023206 0.71 TSHR (0.46) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL16431213 0.69 TSHR (0.44) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL16431212 0.69 TSHR (0.44) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL28637241 0.67 TSHR (0.42) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL3359822 0.67 TSHR (0.48) GABRR1GABRR2BLMGABRR3LMNA

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-109503657-B Synthesis method of 4-dihydrocarbyloxyphosphono-2-methyl-2-butenoic acid alkyl ester 浙江新和成股份有限公司 2021-03-02 CN disclosed