SCHEMBL6734704

SCHEMBL6734704

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
MAOB P27338 3/20 0.35
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8335155 0.89 LMNA (0.43) MCL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9067801 0.88 HDAC3 (0.40) MCL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL182733 0.88 HDAC3 (0.40) MCL1HDAC3HDAC4HDAC1HDAC7
Ethylene SCHEMBL28301426 0.86 HDAC3 (0.40) MCL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1140851 0.84 MCL1 (0.38) MCL1HDAC3HDAC4HDAC1HDAC7
Itaconate SCHEMBL8677282 0.82 HDAC3 (0.42) MCL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1765980 0.82 MCL1 (0.40) MCL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18171946 0.80 CYP3A4 (0.40) MCL1HDAC3HDAC4HDAC1HDAC7
Methacrylic Acid SCHEMBL437865 0.78 CYP3A4 (0.46) MCL1HDAC3HDAC4HDAC1HDAC7
Methacrylic Acid SCHEMBL6906597 0.78 CYP3A4 (0.46) MCL1HDAC3HDAC4HDAC1HDAC7

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
US-6676858-B2 COLORANT IS AQUEOUS DISPERSION, SLURRY, OR SUSPENSION THAT INCLUDES AN INSOLUBLE, NON-FUGITIVE PIGMENT, E.G., RED IRON OXIDE OR TITANIUM DIOXIDE ASTARIS LLC 2004-01-13 US disclosed
US-6517747-B2 Aqueous emulsion or suspension dispersion of non-fluorescent or fluorescent pigment ASTARIS, LLC 2003-02-11 US disclosed
US-20020189492-A1 Colorant liquid, method of use, and wildland fire retardant liquids containing same PERIMETER SOLUTIONS LP (F/K/A ICL PERFORMANCE PRODUCTS LP) 2002-12-19 US disclosed
US-6447697-B1 Colorant liquid, method of use, and wildland fire retardant liquids containing same ASTARIS, LLC 2002-09-10 US disclosed
US-20020013403-A1 Colorant liquid, method of use, and wildland fire retardant liquids containing same PERIMETER SOLUTIONS LP (F/K/A ICL PERFORMANCE PRODUCTS LP) 2002-01-31 US disclosed