SCHEMBL13979934

SCHEMBL13979934

COc1ccc(OC)c(COC(=O)N(C2CCCCC2)C2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 4/20 0.47
IDO1 P14902 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL13034128 0.75 HSD17B10 (0.61) ALDH1A1HSD17B10MEN1KMT2AIDO1
SCHEMBL1357850 0.75 SMN1; SMN2 (0.45) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL27728542 0.74 HSD17B10 (0.59) ALDH1A1HSD17B10MEN1KMT2AIDO1
SCHEMBL11785799 0.74 HSD17B10 (0.59) HSD17B10MEN1KMT2AIDO1
SCHEMBL1357848 0.73 SMN1; SMN2 (0.46) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL30261137 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1358601 0.72 SMN1; SMN2 (0.46) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL2405089 0.70 MEN1 (0.59) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL6983148 0.69 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL13419637 0.69 AOC3 (0.50) ALDH1A1KDM4EHSD17B10IDO1MAPT

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
EP-1702962-B1 Ink composition containing a photo-acid and a photo-base generator and processes using them FUJIFILM CORP (JP) 2008-12-24 EP disclosed