SCHEMBL28249504

SCHEMBL28249504

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
OPRM1 P35372 3/20 0.42
KCNH2 Q12809 2/20 0.42
OPRD1 P41143 2/20 0.42
CHRM3 P20309 2/20 0.42
MRGPRX2 Q96LB1 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ELANE P08246 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL19928251 0.79 CYP2C19 (0.52) CYP2C19HIF1AOPRM1KCNH2OPRD1
SCHEMBL28859615 0.78 CYP2C19 (0.47) CYP2C19HIF1AOPRM1KCNH2OPRD1
SCHEMBL42692 0.78 CYP2C19 (0.50) CYP2C19HIF1AOPRM1KCNH2OPRD1
SCHEMBL28028389 0.76 CYP2C19 (0.48) CYP2C19HIF1AOPRM1KCNH2OPRD1
SCHEMBL11150049 0.75 OPRM1 (0.48) CYP2C19HIF1AOPRM1KCNH2OPRD1
SCHEMBL3401876 0.75 OPRM1 (0.48) CYP2C19HIF1AOPRM1KCNH2OPRD1
SCHEMBL28824675 0.75 CYP2C19 (0.44) CYP2C19HIF1AOPRM1KCNH2OPRD1
SCHEMBL8747409 0.75 CYP2C19 (0.44) CYP2C19HIF1AKMT2AMAPTPOLB
SCHEMBL28757843 0.75 CYP2C19 (0.47) CYP2C19HIF1AOPRM1KCNH2OPRD1
SCHEMBL19982517 0.75 CYP2C19 (0.47) CYP2C19HIF1AOPRM1KCNH2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101747225-A Method for preparing antioxidant CHEMICAL INDUSTRY GENERAL PLAN 2010-06-23 CN claimed
CN-108929237-A A kind of new liquid antioxidant and preparation method thereof 山东省临沂市三丰化工有限公司 2018-12-04 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-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-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 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-101747225-A Method for preparing antioxidant CHEMICAL INDUSTRY GENERAL PLAN 2010-06-23 CN disclosed