SCHEMBL7094974

SCHEMBL7094974

C=C(C(=O)OCCC(C)OC)C(C=CC(=O)O)C=Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
CHRNB2 P17787 2/20 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
SCHEMBL7089740 0.84 KDM4E (0.38) ALDH1A1HTTNPSR1HDAC3TNKS
SCHEMBL3400829 0.81 SMN1; SMN2 (0.43) ALDH1A1HCAR2TDP1LMNACYP3A4
SCHEMBL5418266 0.81 HDAC3 (0.45) ALDH1A1HDAC3TNKSHDAC4HDAC1
SCHEMBL5483467 0.79 LMNA (0.51) ALDH1A1HDAC3TNKSHDAC4HDAC1
Juarezic Acid SCHEMBL7094976 0.79 ALDH1A1 (0.38) ALDH1A1HTTNPSR1HDAC3TNKS
Methacrylic Acid SCHEMBL4471743 0.77 ALDH1A1 (0.41) ALDH1A1HDAC3TNKSHDAC4HDAC1
SCHEMBL1533140 0.76 LMNA (0.41) ALDH1A1HTTNPSR1HDAC3TNKS
SCHEMBL7957792 0.75 MGLL (0.49) ALDH1A1HDAC3TNKSHDAC4HDAC1
SCHEMBL10455816 0.74 HPGD (0.43) ALDH1A1HDAC3HCAR2TDP1LMNA
SCHEMBL8383869 0.74 HDAC3 (0.52) ALDH1A1HDAC3TNKSHDAC4HDAC1

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
US-6543888-B2 Ink-jet image recording method FUJI PHOTO FILM CO., LTD. (JP) 2003-04-08 US disclosed