SCHEMBL28697334

SCHEMBL28697334

ClC1(Cl)C=CC(/C=C/c2ccccc2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHAT P28329 2/20 0.35
MAOB P27338 3/20 0.34
NFE2L2 Q16236 4/20 0.34
CYP19A1 P11511 2/20 0.34
MAOA P21397 2/20 0.34
TTR P02766 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 2/20 0.32
TRPA1 O75762 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL9344854 0.88 MAOB (0.37) CHATMAOBNFE2L2CYP19A1MAOA
SCHEMBL7324466 0.83 TRPA1 (0.37) CHATMAOBNFE2L2CYP19A1MAOA
SCHEMBL4438933 0.81 MAOB (0.39) CHATMAOBNFE2L2CYP19A1MAOA
SCHEMBL29136474 0.80 TRPA1 (0.38) CHATNFE2L2TTRALOX5PTGS1
SCHEMBL17650863 0.80 NFE2L2 (0.33) CHATMAOBNFE2L2CYP19A1MAOA
SCHEMBL6837817 0.79 CHAT (0.35) CHATMAOBNFE2L2CYP19A1MAOA
SCHEMBL31506486 0.79 CHAT (0.35) CHATMAOBNFE2L2CYP19A1MAOA
SCHEMBL4595773 0.79 CHAT (0.39) CHATMAOBNFE2L2CYP19A1MAOA
Hydrochloric Acid SCHEMBL12003783 0.79 MAOB (0.38) CHATMAOBNFE2L2CYP19A1MAOA
SCHEMBL28484538 0.79 CHAT (0.39) CHATMAOBNFE2L2CYP19A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031774-B High-strength super-toughness poly-astragalus-arylene sulfide and preparation method thereof 中鼎凯瑞科技成都有限公司 2024-04-02 CN claimed
CN-114031774-A High-strength super-toughness polystilbene aryl sulfide ether and preparation method thereof 中鼎凯瑞科技成都有限公司 2022-02-11 CN claimed
CN-114031774-B High-strength super-toughness poly-astragalus-arylene sulfide and preparation method thereof 中鼎凯瑞科技成都有限公司 2024-04-02 CN disclosed
CN-114031774-A High-strength super-toughness polystilbene aryl sulfide ether and preparation method thereof 中鼎凯瑞科技成都有限公司 2022-02-11 CN disclosed