Juarezic Acid

Juarezic Acid

SCHEMBL9149442

C=CC=C(C=CC#N)C=C(C)C(=O)O.O=C(O)C=CC=Cc1ccccc1

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
MCL1 Q07820 2/20 0.36
TNKS O95271 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MAOB P27338 7/20 0.34
AKR1C3 P42330 1/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL1012458 0.81 PTGS1 (0.31)
SCHEMBL7849380 0.80 GLA (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8777869 0.76 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL364235 0.76 AKR1C3 (0.53) MCL1AKR1C3GLATDP1LMNA
Juarezic Acid SCHEMBL15064809 0.76 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Juarezic Acid SCHEMBL2246623 0.76 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
Styrene SCHEMBL10395745 0.76 AKR1C3 (0.46) MCL1AKR1C3GLATDP1LMNA
Juarezic Acid SCHEMBL64796 0.75 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
Butadiene SCHEMBL5964914 0.75 AKR1C3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL116598 0.74 LMNA (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-0468002-A4 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES GRACE W R & CO (US) 1995-08-09 EP claimed
EP-0468002-A1 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES W.R. GRACE & CO.-CONN. (US) 1992-01-29 EP claimed
WO-1991008840-A1 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES W.R. GRACE & CO.-CONN. (US) 1991-06-27 WO claimed