SCHEMBL11806402

SCHEMBL11806402

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 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
Maleic Acid SCHEMBL28501255 0.78 NR4A1 (0.59) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL14390570 0.78 HCAR2 (0.46) RECQLHDAC3TNKSHDAC4HDAC1
SCHEMBL28194223 0.77 MAPT (0.50) HCAR2NPC1ALDH1A1RAB9AMEN1
SCHEMBL2485042 0.73 CYP3A4 (0.45) RECQLHCAR2NPSR1NPC1ALDH1A1
SCHEMBL5175912 0.73 LMNA (0.49) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL5175922 0.73 LMNA (0.49) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL4022487 0.73 LMNA (0.49) HDAC3TNKSHDAC4HDAC1HCAR2
Acrylic Acid SCHEMBL5162070 0.73 AKT1 (0.42) NPSR1NPC1ALDH1A1RAB9AMEN1
SCHEMBL8559716 0.73 MEN1 (0.41) RECQLALDH1A1RAB9AMEN1MAPT
SCHEMBL17436357 0.73 MEN1 (0.41) RECQLALDH1A1RAB9AMEN1MAPT

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-3981717-A ANILINO COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1976-09-21 US disclosed