SCHEMBL28433233

SCHEMBL28433233

O=C(O)CCCCCC(=O)OC(=O)c1ccccc1C(=O)OC(=O)CCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MAPT P10636 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43

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
SCHEMBL8362103 1.00 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4834310 0.98 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8584248 0.95 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27533156 0.93 ALDH1A1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9468429 0.89 ALDH1A1 (0.50) MAPTMAPK1SMN1; SMN2LMNATSHR
SCHEMBL5523432 0.87 ALDH1A1 (0.52) HDAC8MAPTMAPK1SMN1; SMN2TSHR
Succinic Acid SCHEMBL22217135 0.87 NR4A2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL125859 0.87 NR4A2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
Maleic Acid SCHEMBL28187597 0.86 ALDH1A1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30364316 0.84 ALDH1A1 (0.60) HDAC6MAPTMAPK1SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111454441-A Production method and device for continuously producing polyester polyol 北京芯友工程技术有限公司 2020-07-28 CN claimed
CN-111454441-B Production method for continuously producing polyester polyol 北京芯友工程技术有限公司 2023-10-31 CN disclosed
CN-111454441-A Production method and device for continuously producing polyester polyol 北京芯友工程技术有限公司 2020-07-28 CN disclosed