SCHEMBL20109834

SCHEMBL20109834

[N-]=[N+]=NC(=O)CCOc1ccc(/C=C/C(=O)N2CCCCC2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 3/20 0.45
MAOB P27338 8/20 0.39
TRPV1 Q8NER1 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PTGS2 P35354 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL766034 0.81 PELI1 (0.52) PELI1MAOBTRPV1HPGDPTGS2
SCHEMBL20109839 0.80 PELI1 (0.48) PELI1MAOBTRPV1HRH3HPGD
SCHEMBL20109844 0.79 PELI1 (0.46) PELI1MAOBTRPV1HRH3HPGD
SCHEMBL29449824 0.75 TRPV1 (0.58) PELI1TRPV1HPGDSMN1; SMN2ACHE
SCHEMBL10230139 0.75 TRPV1 (0.58) PELI1TRPV1HPGDSMN1; SMN2ACHE
SCHEMBL20109827 0.75 PELI1 (0.42) PELI1MAOBTRPV1HPGDSMN1; SMN2
SCHEMBL10321420 0.74 PELI1 (0.49) PELI1MAOBTRPV1HPGDSMN1; SMN2
SCHEMBL10321418 0.74 PELI1 (0.49) PELI1MAOBTRPV1HPGDSMN1; SMN2
SCHEMBL20109846 0.74 PELI1 (0.42) PELI1MAOBTRPV1HPGDPDE3B
SCHEMBL766060 0.73 PELI1 (0.67) PELI1MAOBTRPV1HPGDALOX5

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-20180118887-A1 PRECURSOR COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR PRODUCING PRECURSOR COMPOSITION, CURED FILM, METHOD FOR PRODUCING CURED FILM, AND SEMICONDUCTOR DEVICE FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed