SCHEMBL9004073

SCHEMBL9004073

CC(C)CCC(/C=C/c1ccc(F)cc1)=N\O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.70
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TNFRSF1A P19438 1/20 0.39
TP53 P04637 1/20 0.38
ABCB11 O95342 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL9004146 0.85 TRPA1 (0.50) TRPA1MEN1KMT2ALMNANOS3
SCHEMBL9004114 0.85 TRPA1 (0.50) TRPA1MEN1KMT2ALMNAALDH1A1
SCHEMBL9004173 0.84 ALOX15 (0.50) TRPA1LMNAALDH1A1SMN1; SMN2
SCHEMBL1499452 0.83 TRPA1 (1.00) TRPA1MEN1KMT2AHSD11B1LMNA
SCHEMBL1499454 0.83 TRPA1 (1.00) TRPA1MEN1KMT2AHSD11B1LMNA
SCHEMBL4452015 0.83 TRPA1 (1.00) TRPA1MEN1KMT2AHSD11B1LMNA
SCHEMBL9004131 0.82 LMNA (0.56) TRPA1LMNASMN1; SMN2
SCHEMBL4450935 0.80 TRPA1 (0.82) TRPA1HSD11B1LMNAHPGDTNFRSF1A
SCHEMBL4450932 0.80 TRPA1 (0.82) TRPA1HSD11B1LMNAHPGDTNFRSF1A
SCHEMBL4450936 0.80 TRPA1 (0.82) TRPA1HSD11B1LMNAHPGDTNFRSF1A

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