SCHEMBL29397643

SCHEMBL29397643

CC(C)(c1ccccc1)c1c(O)cccc1CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
ESR2 Q92731 1/20 0.41
BID P55957 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
BAK1 Q16611 1/20 0.40
EP300 Q09472 1/20 0.39
KAT5 Q92993 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
HTT P42858 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SOX18 P35713 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL986182 0.86 ESR1 (0.42) ALDH1A1ESR1CYP3A4ESR2BID
SCHEMBL980121 0.83 BID (0.46) ALDH1A1ESR1CYP3A4ESR2BID
SCHEMBL982786 0.82 GABRA1 (0.48) ALDH1A1ESR1CYP3A4ESR2BID
SCHEMBL983993 0.82 BID (0.51) BIDBCL2L1MCL1BAK1EP300
SCHEMBL983028 0.81 BID (0.54) BIDBCL2L1MCL1BAK1EP300
SCHEMBL982240 0.81 BID (0.54) BIDBCL2L1MCL1BAK1EP300
SCHEMBL31119051 0.81 BID (0.54) BIDBCL2L1MCL1BAK1EP300
SCHEMBL983889 0.81 BID (0.54) BIDBCL2L1MCL1BAK1EP300
SCHEMBL982960 0.81 BID (0.54) BIDBCL2L1MCL1BAK1EP300
SCHEMBL983275 0.81 BID (0.54) BIDBCL2L1MCL1BAK1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113249836-B Production process of high-stereoscopic-sensation hollow threaded elastic thread 浙江东星纺织机械有限公司 2022-09-20 CN claimed
CN-114711246-A Efficient and stable dichlorvos smoke agent and application thereof 黑龙江森工农化有限公司 2022-07-08 CN claimed
CN-110083011-B High-sensitivity environment-friendly single-component rotary screen photosensitive adhesive and preparation method and application thereof 浙江易能感光材料有限公司 2022-07-01 CN claimed
CN-109874799-B Pyraclostrobin and chlorine-containing compound Fluor-kresoxim-methyl compound bactericide 石家庄市深泰化工有限公司 2024-09-27 CN disclosed
CN-115960484-A Method for reducing shrinkage stress of photocuring coating by using shape memory microspheres 江南大学 2023-04-14 CN disclosed
CN-113771259-B Reactable hollow microsphere with controllable mechanical property and preparation method thereof 江南大学 2022-10-11 CN disclosed
CN-113249836-B Production process of high-stereoscopic-sensation hollow threaded elastic thread 浙江东星纺织机械有限公司 2022-09-20 CN disclosed
CN-113559801-B System for preparing large-particle-size hollow microspheres and using method 江南大学 2022-09-16 CN disclosed
CN-114711246-A Efficient and stable dichlorvos smoke agent and application thereof 黑龙江森工农化有限公司 2022-07-08 CN disclosed
CN-110083011-B High-sensitivity environment-friendly single-component rotary screen photosensitive adhesive and preparation method and application thereof 浙江易能感光材料有限公司 2022-07-01 CN disclosed
CN-114058120-A Method for producing plastic mannequin 台州迈柯塑业有限公司 2022-02-18 CN disclosed