SCHEMBL28945985

SCHEMBL28945985

c1ccc2c(c1)Cc1c-2cccc1C1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
HTR7 P34969 2/20 0.44
HTR1A P08908 1/20 0.44
PTGS2 P35354 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
HTR2B P41595 1/20 0.37
PTPN5 P54829 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPRC P08575 1/20 0.36
PTPRF P10586 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HTR6 P50406 3/20 0.35
DRD2 P14416 1/20 0.35
PRCP P42785 1/20 0.35
MAOA P21397 1/20 0.34

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
SCHEMBL6524402 1.00 PNMT (0.45) PNMTHTR7HTR1APTGS2NPC1
SCHEMBL28946003 0.91 HTR1A (0.39) PNMTHTR7HTR1APTGS2NPC1
SCHEMBL29254149 0.83 PNMT (0.46) PNMTHTR7NPC1RAB9AHTR2B
SCHEMBL6906970 0.82 HTR1A (0.46) HTR7HTR1APTGS2PTGDR2HTR6
SCHEMBL28649451 0.81 HTR7 (0.38) PNMTHTR7HTR1ANPC1RAB9A
SCHEMBL7717438 0.80 PTPN5 (0.44) PNMTHTR7HTR1APTGS2NPC1
SCHEMBL21295470 0.77 NUDT1 (0.40) PNMTHTR7PTGS2NPC1RAB9A
Hydrochloric Acid SCHEMBL3385861 0.76 PNMT (0.52) PNMTHTR7NPC1RAB9ABCHE
Fluoride Ion SCHEMBL3384402 0.76 PNMT (0.52) PNMTHTR7NPC1RAB9ABCHE
Iodide SCHEMBL3382482 0.76 PNMT (0.52) PNMTHTR7NPC1RAB9ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636994-B Low-density polyethylene resin composition for film 中国石油天然气股份有限公司 2024-03-01 CN claimed
CN-115636889-B Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2024-03-01 CN claimed
CN-115636889-A Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2023-01-24 CN claimed
CN-115636994-A Low-density polyethylene resin composition for film 中国石油天然气股份有限公司 2023-01-24 CN claimed
CN-115636994-B Low-density polyethylene resin composition for film 中国石油天然气股份有限公司 2024-03-01 CN disclosed
CN-115636889-B Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2024-03-01 CN disclosed
CN-115636889-A Preparation method of LDPE resin for film product 中国石油天然气股份有限公司 2023-01-24 CN disclosed
CN-115636994-A Low-density polyethylene resin composition for film 中国石油天然气股份有限公司 2023-01-24 CN disclosed