SCHEMBL20109832

SCHEMBL20109832

O=C(/C=C/c1ccc(OCc2ccccc2[N+](=O)[O-])cc1O)N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 3/20 0.48
MAOB P27338 1/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 3/20 0.45
PELI1 Q96FA3 3/20 0.44
MITF O75030 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL766015 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTL3MBTL1LMNA
SCHEMBL766034 0.76 PELI1 (0.52) ALDH1A1KMT2AMAOBPELI1KDM4E
SCHEMBL20109836 0.74 PELI1 (0.55) ALDH1A1KMT2AMAOBMAPTLMNA
SCHEMBL10230139 0.74 TRPV1 (0.58) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL29449824 0.74 TRPV1 (0.58) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL14374493 0.74 ALDH1A1 (0.65) ALDH1A1KMT2AMAPTL3MBTL1LMNA
SCHEMBL10321420 0.74 PELI1 (0.49) ALDH1A1MAOBMAPTLMNASMN1; SMN2
SCHEMBL10321418 0.74 PELI1 (0.49) ALDH1A1MAOBMAPTLMNASMN1; SMN2
SCHEMBL20109839 0.73 PELI1 (0.48) ALDH1A1MAOBPELI1HPGD
SCHEMBL10322050 0.72 PELI1 (0.67) ALDH1A1KMT2AMAOBPELI1NPC1

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