SCHEMBL28650754

SCHEMBL28650754

C=COC(C)Oc1ccccc1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.45
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2135648 0.83 ALDH1A1 (0.59) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL6285510 0.81 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL4578536 0.81 KDM4E (0.49) ALDH1A1TDP1TSHRHTTRAB9A
SCHEMBL28650753 0.77 HTT (0.53) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL8432905 0.75 ALDH1A1 (0.65) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL29687865 0.75 ALDH1A1 (0.65) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL21526668 0.75 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL5216859 0.74 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL4064899 0.74 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL5215774 0.73 ALDH1A1 (0.51) ALDH1A1TDP1L3MBTL1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113583372-A Preparation method and application of single molecular chain nano-particles 中国科学院化学研究所 2021-11-02 CN claimed
CN-114605601-A Active nano latex and preparation method thereof 清华大学 2022-06-10 CN disclosed
CN-113583372-B Preparation method and application of single molecular chain nano-particles 中国科学院化学研究所 2022-04-01 CN disclosed
CN-113583372-A Preparation method and application of single molecular chain nano-particles 中国科学院化学研究所 2021-11-02 CN disclosed