SCHEMBL28859615

SCHEMBL28859615

CCC(=O)OC(O)(c1ccccc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
OPRM1 P35372 3/20 0.45
CHRM3 P20309 3/20 0.45
KCNH2 Q12809 2/20 0.45
OPRD1 P41143 2/20 0.45
MRGPRX2 Q96LB1 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2A P28223 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
POLB P06746 3/20 0.42
KMT2A Q03164 2/20 0.40
ELANE P08246 1/20 0.40
MAPT P10636 1/20 0.40
KCNN4 O15554 1/20 0.39
CHRM2 P08172 2/20 0.39

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
SCHEMBL28028389 0.84 CYP2C19 (0.48) CYP2C19HIF1AOPRM1CHRM3KCNH2
SCHEMBL19928251 0.83 CYP2C19 (0.52) CYP2C19HIF1AOPRM1CHRM3KCNH2
SCHEMBL42692 0.81 CYP2C19 (0.50) CYP2C19HIF1AOPRM1CHRM3KCNH2
SCHEMBL3401876 0.79 OPRM1 (0.48) CYP2C19HIF1AOPRM1CHRM3KCNH2
SCHEMBL11150049 0.79 OPRM1 (0.48) CYP2C19HIF1AOPRM1CHRM3KCNH2
SCHEMBL28757843 0.79 CYP2C19 (0.47) CYP2C19HIF1AOPRM1CHRM3KCNH2
SCHEMBL19982517 0.79 CYP2C19 (0.47) CYP2C19HIF1AOPRM1CHRM3KCNH2
SCHEMBL28230818 0.78 CYP2C19 (0.43) CYP2C19HIF1AOPRM1CHRM3KCNH2
SCHEMBL28249504 0.78 CYP2C19 (0.43) CYP2C19HIF1AOPRM1CHRM3KCNH2
SCHEMBL27849317 0.77 CYP2C19 (0.46) CYP2C19HIF1AOPRM1CHRM3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105601998-B There are antioxidant and its preparation method and the application of the bead shaped particle shape of environmental benefit 佟立新 2018-11-06 CN claimed
CN-105482156-B There are bead shaped particle shape composite plastic additive and its preparation method and the application of environmental benefit 佟立新 2018-11-06 CN claimed
CN-105542224-B There are environmental benefit bead shaped particle shape antioxidant 1076 and its preparation method and application 佟立新 2018-11-06 CN disclosed
CN-105601998-B There are antioxidant and its preparation method and the application of the bead shaped particle shape of environmental benefit 佟立新 2018-11-06 CN disclosed
CN-105504348-B There are environmental benefit bead shaped particle shape antioxidant 1010 and its preparation method and application 佟立新 2018-11-06 CN disclosed
CN-108008039-A The assay method of 3- (3,5- di-tert-butyl-hydroxy phenyls) methyl propionate in food contact plastics 湖北稻花香酒业股份有限公司 2018-05-08 CN disclosed