SCHEMBL5514062

SCHEMBL5514062

CC(C)ON(OC(C)C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
MMP16 P51512 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
SCHEMBL1161050 0.80 MEN1 (0.36) MEN1HTTKMT2AALDH1A1L3MBTL1
SCHEMBL896724 0.78 ALDH1A1 (0.44) ALDH1A1TSHRTDP1
SCHEMBL5892064 0.78 MEN1 (0.39) MEN1HTTKMT2AALDH1A1L3MBTL1
SCHEMBL29148796 0.76 ALDH1A1 (0.36) MEN1HTTKMT2AALDH1A1L3MBTL1
SCHEMBL14813228 0.72 CYP2C19 (0.36) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL8392430 0.72 MEN1 (0.34) MEN1HTTKMT2AALDH1A1L3MBTL1
SCHEMBL8392432 0.72 MEN1 (0.34) MEN1HTTKMT2AALDH1A1L3MBTL1
SCHEMBL10914267 0.70 ALDH1A1 (0.36) MEN1HTTKMT2AALDH1A1L3MBTL1
SCHEMBL210129 0.70 CA4 (0.41) MEN1HTTKMT2AALDH1A1L3MBTL1
SCHEMBL12465941 0.70 ACHE (0.38) ALDH1A1LMNAESR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779202-B Curable polyfarnesene-based compositions 飞纳技术有限公司 2021-07-06 CN claimed
CN-115068346-A Dental photocurable composition having excellent handling properties and storage stability 株式会社松风 2022-09-20 CN disclosed
CN-115068345-A Dental adhesive composition having excellent storage stability 株式会社松风 2022-09-20 CN disclosed
CN-115068348-A Curable composition for dental use having excellent storage stability 株式会社松风 2022-09-20 CN disclosed
CN-115068347-A Photocurable composition having excellent depth of cure 株式会社松风 2022-09-20 CN disclosed
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed
EP-0213490-B1 COLOUR-PHOTOGRAPHIC RECORDING MATERIAL Agfa-Gevaert AG (DE) 1989-10-25 EP disclosed
EP-0213490-A2 Colour-photographic recording material Agfa-Gevaert AG (DE) 1987-03-11 EP disclosed