SCHEMBL28679999

SCHEMBL28679999

COC(C)COC(C)COC(C)COC(=O)/C=C\C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 14/20 0.47
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL38653096 1.00 HCAR2 (0.47) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL8812196 0.93 HCAR2 (0.53) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL8641318 0.93 HCAR2 (0.53) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL15218679 0.87 HCAR2 (0.52) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL27407118 0.87 HCAR2 (0.52) HCAR2TSHRALDH1A1HPGDGAA
SCHEMBL28687483 0.87 HCAR2 (0.56) HCAR2TSHRALDH1A1MAPTHPGD
SCHEMBL2046400 0.86 TSHR (0.48) HCAR2TSHRALDH1A1MAPTTDP1
SCHEMBL6931716 0.85 HCAR2 (0.48) HCAR2TSHRALDH1A1TDP1HPGD
SCHEMBL9715001 0.85 HCAR2 (0.48) HCAR2TSHRALDH1A1TDP1HPGD
SCHEMBL27168435 0.81 HCAR2 (0.61) HCAR2TSHRALDH1A1MAPTTDP1

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-113816649-B Shrinkage-reducing polycarboxylate superplasticizer and preparation method and application thereof 贵州石博士科技股份有限公司 2022-06-14 CN disclosed
CN-113816649-A Shrinkage-reducing polycarboxylate superplasticizer and preparation method and application thereof 贵州石博士科技股份有限公司 2021-12-21 CN disclosed