SCHEMBL28678971

SCHEMBL28678971

CCOC(=O)OOC(C)(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42
PIN1 Q13526 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD11B1 P28845 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL28678972 0.90 MAPK1 (0.48) MAPK1ALDH1A1ALOX15POLBTSHR
SCHEMBL9862034 0.86 MAPK1 (0.41) MAPK1ALDH1A1ALOX15POLBTSHR
SCHEMBL7057674 0.86 MAPK1 (0.47) MAPK1ALDH1A1ALOX15POLBTSHR
SCHEMBL7055626 0.84 MAPK1 (0.46) MAPK1ALDH1A1ALOX15POLBTSHR
SCHEMBL22639499 0.83 CYP2C19 (0.47) MAPK1ALDH1A1ALOX15POLBTSHR
SCHEMBL9862043 0.81 MAPK1 (0.39) MAPK1ALDH1A1ALOX15POLBPIN1
SCHEMBL28837069 0.81 MAPK1 (0.57) MAPK1ALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL6534850 0.80 THRB (0.43) MAPK1ALDH1A1ALOX15POLBTSHR
SCHEMBL24857047 0.79 MAPK1 (0.55) MAPK1ALDH1A1ALOX15POLBTSHR
SCHEMBL9862015 0.79 HCAR2 (0.35) MAPK1ALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912918-A Crosslinkable polyethylene composition, crosslinkable polyethylene blend and composite article 国家能源投资集团有限责任公司 2022-01-11 CN claimed
CN-113915423-A Corrosion-resistant pipeline and application 国家能源投资集团有限责任公司 2022-01-11 CN claimed
CN-113913054-A Crosslinkable polyethylene composition, crosslinkable polyethylene blend and composite article 国家能源投资集团有限责任公司 2022-01-11 CN claimed
CN-113912918-A Crosslinkable polyethylene composition, crosslinkable polyethylene blend and composite article 国家能源投资集团有限责任公司 2022-01-11 CN disclosed
CN-113913054-A Crosslinkable polyethylene composition, crosslinkable polyethylene blend and composite article 国家能源投资集团有限责任公司 2022-01-11 CN disclosed