SCHEMBL4594735

SCHEMBL4594735

CCCCCCCCCCCCCCCCN1CCOCC1.CCOS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN3A Q9NY46 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
THRB P10828 12/20 0.43
THRA P10827 2/20 0.43
PAOX Q6QHF9 1/20 0.43
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2298944 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL5670939 0.88 ALDH1A1 (0.48) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL11383976 0.88 ALDH1A1 (0.48) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Sulfuric Acid SCHEMBL11617553 0.88 PAOX (0.49) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Sulfuric Acid SCHEMBL11504491 0.88 PAOX (0.49) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Sulfuric Acid SCHEMBL11617550 0.88 PAOX (0.49) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Sulfuric Acid SCHEMBL11504487 0.88 PAOX (0.49) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL11114215 0.86 ALDH1A1 (0.43) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Ammonia Solution, Strong SCHEMBL27742172 0.84 PAOX (0.50) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL4429080 0.81 TSHR (0.41) ALDH1A1LMNAUSP2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115353683-A Glass fiber reinforced polypropylene corrugated pipe and preparation method thereof 安徽杰蓝特新材料有限公司 2022-11-18 CN claimed
CN-110790999-A Rotational molding composite material with pattern surface effect 浙江瑞堂塑料科技股份有限公司 2020-02-14 CN claimed
CN-110776684-A Double-layer rotational molding product manufactured based on mucosa temperature difference and preparation method thereof 浙江瑞堂塑料科技股份有限公司 2020-02-11 CN claimed
CN-118087281-A Static electricity eliminating artificial leather 昆山阿基里斯新材料科技有限公司 2024-05-28 CN disclosed
CN-115418043-B Rotational molding composite material with large meteor-like patterns and molding process thereof 浙江瑞堂塑料科技股份有限公司 2024-01-30 CN disclosed
CN-113334757-B Three-dimensional object forming method and device, storage medium and computer equipment 珠海赛纳三维科技有限公司 2023-03-10 CN disclosed
CN-113334757-A Three-dimensional object forming method and device, storage medium and computer equipment 珠海赛纳三维科技有限公司 2021-09-03 CN disclosed
EP-1707223-B1 Solid odour absorbing agent consisting of anodic oxide layers comprising an active agent EVONIK GOLDSCHMIDT GMBH (DE) 2008-01-02 EP disclosed
EP-1741452-A2 Solid odour absorbing agent consisting of anodic oxide layers comprising an active agent Goldschmidt GmbH (DE) 2007-01-10 EP disclosed
EP-1707223-A1 Solid odour absorbing agent consisting of anodic oxide layers comprising an active agent Goldschmidt GmbH (DE) 2006-10-04 EP disclosed