SCHEMBL28878397

SCHEMBL28878397

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
MAOB P27338 8/20 0.53
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
MAOA P21397 1/20 0.49
LMNA P02545 3/20 0.48

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
Juarezic Acid SCHEMBL1964669 0.88 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL15120 0.84 MAPT (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL376003 0.84 MAPT (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL28287153 0.82 MAPT (0.59) HDAC3HDAC4HDAC1HDAC2HDAC8
Ammonia Solution, Strong SCHEMBL5175448 0.82 MAPT (0.59) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL16268784 0.82 MAPT (0.59) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL4728635 0.81 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL10818746 0.80 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13082341 0.80 MAOB (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL560055 0.80 HDAC3 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115275023-A Method for improving performance of silicon-based hybrid solar cell by water treatment of PEDOT (Polytetrafluoroethylene-styrene) PSS (Polytetrafluoroethylene-styrene) film 华北电力大学 2022-11-01 CN disclosed