SCHEMBL30620196

SCHEMBL30620196

C=Cc1ccc(COCCOCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
S1PR1 P21453 3/20 0.33
NAAA Q02083 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL10013353 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL1270753 0.96 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL17075233 0.91 ALDH1A1 (0.48) ALDH1A1TSHRPTPN2PTPN1PTPN6
SCHEMBL1140820 0.91 ALDH1A1 (0.48) ALDH1A1TSHRPTPN2PTPN1PTPN6
SCHEMBL18832287 0.89 ALDH1A1 (0.50) ALDH1A1TSHRPTPN2PTPN1PTPN6
Di(Hydroxyethyl)Ether SCHEMBL28840033 0.87 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL11877780 0.86 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPK1TSHR
Triethylene Glycol SCHEMBL14157515 0.85 MEN1 (0.35) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL13955822 0.85 ALDH1A1 (0.42) MEN1KMT2AALDH1A1TSHRPTPN2
SCHEMBL4903352 0.84 ALDH1A1 (0.38) ALDH1A1TDP1APPADRB2ADRB1

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-116903773-A Preparation method of polymer composite copper catalytic material and application of polymer composite copper catalytic material in synthesis of chiral gem diaryl borate 湖北工程学院 2023-10-20 CN claimed
CN-119954852-A Silicon-based quinoline drug intermediate and preparation method thereof 湖北工程学院 2025-05-09 CN disclosed
CN-116899564-B Block polymer copper metal catalytic material, preparation method thereof and application of block polymer copper metal catalytic material in preparation of N-heteroaryl boride 湖北工程学院 2025-03-21 CN disclosed
CN-116891496-B Preparation method and application of beta-chiral boron compound 湖北工程学院 2025-02-11 CN disclosed
CN-118598899-A Aliphatic alkenyl silicon compound and preparation method thereof 湖北工程学院 2024-09-06 CN disclosed
CN-118561895-A Aromatic alkenyl silicon compound and preparation method thereof 湖北工程学院 2024-08-30 CN disclosed
CN-118561880-A Diboron compound and preparation method thereof 湖北工程学院 2024-08-30 CN disclosed
CN-116899564-A Block polymer copper metal catalytic material, preparation method thereof and application of block polymer copper metal catalytic material in preparation of N-heteroaryl boride 湖北工程学院 2023-10-20 CN disclosed
CN-116903773-A Preparation method of polymer composite copper catalytic material and application of polymer composite copper catalytic material in synthesis of chiral gem diaryl borate 湖北工程学院 2023-10-20 CN disclosed
CN-116891496-A Preparation method and application of beta-chiral boron compound 湖北工程学院 2023-10-17 CN disclosed