SCHEMBL9004124

SCHEMBL9004124

CC(C)CC(/C=C/c1ccccc1)=N\O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
TRPA1 O75762 2/20 0.46
HDAC3 O15379 1/20 0.46
TNKS O95271 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 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
SCHEMBL9004179 1.00 ALOX15 (0.53) ALOX15TRPA1HDAC3TNKSHDAC4
SCHEMBL9004180 1.00 ALOX15 (0.53) ALOX15TRPA1HDAC3TNKSHDAC4
SCHEMBL9004173 0.83 ALOX15 (0.50) ALOX15TRPA1HDAC3TNKSHDAC4
SCHEMBL9004042 0.83 TRPA1 (0.47) TRPA1HDAC2SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9004094 0.80 TRPA1 (0.69) ALOX15TRPA1HDAC3TNKSHDAC4
SCHEMBL9004118 0.79 TRPA1 (0.58) ALOX15TRPA1HDAC3TNKSHDAC4
SCHEMBL9004187 0.77 TRPA1 (0.71) ALOX15TRPA1HDAC3TNKSHDAC4
Cinnamic Acid SCHEMBL363486 0.76 HCAR2 (0.66) HDAC3TNKSHDAC4HDAC1HCAR2
Cinnamic Acid SCHEMBL363485 0.76 HCAR2 (0.66) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL2124073 0.75 ALDH1A1 (0.58) HDAC3TNKSHDAC4HDAC1HCAR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486528-A ANTIULCER AGENTS, ANXIOLYTIC AGENTS EGIS GYOGYSZERGYAR RT. (HU) 1996-01-23 US disclosed
EP-0619299-A2 1-(Phenyl)-3-[omega-(amino)-alkoxyimino]-alk-1-ene derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-10-12 EP disclosed