SCHEMBL29065182

SCHEMBL29065182

O=CC(=O)C(C(=O)O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.67
CYP2D6 P10635 1/20 0.54
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL148725 0.81 SRC (1.00) SRCCYP2D6LMNAMAPK1TDP1
SCHEMBL70165 0.81 SRC (1.00) SRCCYP2D6LMNAMAPK1TDP1
SCHEMBL11878646 0.81 SRC (0.64) SRCCYP2D6LMNAMAPK1TDP1
SCHEMBL340541 0.79 CYP2D6 (0.54) SRCCYP2D6LMNAMAPK1TDP1
Hydrochloric Acid SCHEMBL11211258 0.79 SRC (0.94) SRCCYP2D6LMNAMAPK1TDP1
SCHEMBL21268846 0.79 SRC (0.94) SRCCYP2D6LMNAMAPK1TDP1
SCHEMBL21268839 0.79 SRC (0.94) SRCCYP2D6LMNAMAPK1TDP1
SCHEMBL21269391 0.79 SRC (0.94) SRCCYP2D6LMNAMAPK1TDP1
SCHEMBL11588040 0.79 SRC (0.94) SRCCYP2D6LMNAMAPK1TDP1
Methane SCHEMBL2206368 0.79 SRC (0.94) SRCCYP2D6LMNAMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114796105-B Stable AST-3424 injection preparation and preparation method thereof 深圳艾欣达伟医药科技有限公司 2023-09-01 CN disclosed