SCHEMBL5874735

SCHEMBL5874735

O=C(/C=C\C(=O)ON1CCCCC1)ON1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
POLB P06746 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL5875212 1.00 ALDH1A1 (0.35) ALDH1A1KEAP1NFE2L2HCAR2POLB
SCHEMBL4058405 0.97 KEAP1 (0.33) ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL3751257 0.97 KEAP1 (0.33) ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL1934761 0.92 KEAP1 (0.33) KEAP1NFE2L2HCAR2
SCHEMBL10859682 0.91 HCAR2 (0.41) HCAR2
SCHEMBL10859674 0.91 HCAR2 (0.41) HCAR2
SCHEMBL17695729 0.89 NFE2L2 (0.52) ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL3632775 0.89 HCAR2 (0.43) ALDH1A1HCAR2
SCHEMBL10992799 0.89 HCAR2 (0.43) ALDH1A1HCAR2
SCHEMBL20240713 0.87 GSTP1 (0.33) ALDH1A1

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-115916215-A Transdermal microdosing delivery of hallucinogen derivatives 长矛治疗股份有限公司 2023-04-04 CN disclosed
CN-115916392-A Surface-reacted calcium carbonate in a process for producing supported microcapsules OMYA国际股份公司 2023-04-04 CN disclosed
CN-1748980-B Polarizing plate protecting film and its manufacturing method, polarizing plate and liquid crystal display KONICA MINOLTA OPTO INC 2011-07-27 CN disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
CN-1748980-A Polarizing plate protecting film and its manufacturing method, polarizing plate and liquid crystal display KONICA MINOLTA OPTO INC (JP) 2006-03-22 CN disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-4597902-A TREATMENT OF CARDIAC ARRHYTHMIAS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-07-01 US disclosed