SCHEMBL7272189

SCHEMBL7272189

C=CC=CC(=O)CC(=O)C=CC=Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.59
HDAC4 P56524 4/20 0.59
HDAC1 Q13547 4/20 0.59
HDAC2 Q92769 4/20 0.59
HDAC8 Q9BY41 4/20 0.59
HDAC6 Q9UBN7 4/20 0.59
HDAC7 Q8WUI4 3/20 0.59
HDAC10 Q969S8 3/20 0.59
HDAC11 Q96DB2 3/20 0.59
HDAC9 Q9UKV0 3/20 0.59
HDAC5 Q9UQL6 3/20 0.59
HAO1 Q9UJM8 1/20 0.54
MAOB P27338 7/20 0.54
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
MAOA P21397 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL7272184 1.00 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3439635 0.91 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3439636 0.91 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC2HDAC8
Malonic Acid SCHEMBL8631198 0.81 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
Juarezic Acid SCHEMBL417723 0.81 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC2HDAC8
Juarezic Acid SCHEMBL5517018 0.80 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL11035994 0.80 ALDH1A1 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
Bicarbonate SCHEMBL17180457 0.80 MAOB (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8
Bicarbonate SCHEMBL980228 0.79 MAOB (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL12148878 0.79 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8

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-116963724-A Treatment for human malignant pleural effusion 萨恩帕斯药物有限公司 2023-10-27 CN claimed
CN-116963724-A Treatment for human malignant pleural effusion 萨恩帕斯药物有限公司 2023-10-27 CN disclosed
CN-116710123-A Cytokine release and inhibition of cytokine storm 萨恩帕斯药物有限公司 2023-09-05 CN disclosed
CN-112272555-A Dosing regimens for treating proliferative disorders 萨恩帕斯药物有限公司 2021-01-26 CN disclosed
US-7906643-B2 Methylene blue-curcumin analog for the treatment of Alzheimer's Disease CODMAN & SHURTLEFF, INC. (US) 2011-03-15 US disclosed