SCHEMBL9988958

SCHEMBL9988958

C=Cc1ccc(CN(C(C)O)C(C)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
PYCR1 P32322 1/20 0.33
HDAC3 O15379 1/20 0.33
AGTR2 P50052 1/20 0.32
TP53 P04637 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
TRPA1 O75762 1/20 0.31
BMP1 P13497 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL6808117 0.86 HDAC8 (0.46) ALDH1A1HDAC8HDAC6HDAC1TAS1R3
SCHEMBL9989358 0.81 ALDH1A1 (0.39) ALDH1A1HDAC8HDAC6HDAC1TAS1R3
SCHEMBL5141244 0.81 ALDH1A1 (0.42) ALDH1A1HDAC8HDAC6HDAC1TAS1R3
SCHEMBL20468066 0.78 TSHR (0.45) ALDH1A1HDAC8HDAC6TAS1R3TAS1R1
SCHEMBL6566766 0.78 HPGD (0.42) HDAC8HDAC6HDAC1PYCR1
SCHEMBL17527583 0.76 ALDH1A1 (0.46) ALDH1A1HDAC8HDAC6TAS1R3TAS1R1
SCHEMBL465236 0.75 HRH3 (0.56) ALDH1A1HDAC8HDAC6TSHRPYCR1
SCHEMBL18874552 0.75 ALDH1A1 (0.50) ALDH1A1HDAC8HDAC6TDP1TSHR
SCHEMBL6391713 0.75 PYCR1 (0.50) ALDH1A1HDAC8HDAC6TSHRPYCR1
SCHEMBL79748 0.75 TSHR (0.50) ALDH1A1TSHRTRPA1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812215-A Preparation method of high-molecular debonder with good grinding-aiding effect for ceramic slurry 刘鹏 2021-05-18 CN claimed
CN-109438607-B High-molecular debonding agent with good grinding aiding effect for ceramic slurry 佛山一宇卫士陶瓷材料有限公司 2021-02-19 CN claimed
CN-112812215-A Preparation method of high-molecular debonder with good grinding-aiding effect for ceramic slurry 刘鹏 2021-05-18 CN disclosed
CN-109438607-B High-molecular debonding agent with good grinding aiding effect for ceramic slurry 佛山一宇卫士陶瓷材料有限公司 2021-02-19 CN disclosed
EP-1311572-B1 BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE 3M INNOVATIVE PROPERTIES CO (US) 2011-12-21 EP disclosed