SCHEMBL7720566

SCHEMBL7720566

O=C(O)C1C(=O)Oc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.56
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
LMNA P02545 2/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
USP2 O75604 1/20 0.49
CYP2C9 P11712 2/20 0.47
GRM1 Q13255 1/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 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
Xanthene Carboxylic Acid SCHEMBL40617 0.86 ATM (0.68) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL30011680 0.86 ATM (0.68) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL27368945 0.84 ATM (0.66) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL9551091 0.84 ATM (0.66) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL11788347 0.84 ATM (0.66) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL5780275 0.84 ATM (0.66) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL27850229 0.84 ATM (0.66) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL7560428 0.84 L3MBTL1 (0.53) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL11129976 0.83 ATM (0.76) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL9551104 0.82 ATM (0.63) ATMHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114867350-A Low volatility polyamine salts of anionic pesticides 巴斯夫公司 2022-08-05 CN disclosed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US disclosed