SCHEMBL10693554

SCHEMBL10693554

O=[C]CCCNCC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
CYP3A4 P08684 3/20 0.47
HPGD P15428 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 4/20 0.44
GSK3B P49841 2/20 0.44
HIF1A Q16665 2/20 0.44
TRPA1 O75762 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
PTPN1 P18031 2/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42

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
SCHEMBL22221979 0.84 MAPT (0.56) MEN1CYP3A4HPGDKMT2AMAPK1
SCHEMBL11913604 0.82 MAPT (0.54) MEN1CYP3A4HPGDKMT2AMAPK1
SCHEMBL18306239 0.82 HPGD (0.62) MEN1CYP3A4HPGDKMT2AMAPK1
SCHEMBL13365304 0.80 HPGD (0.60) MEN1CYP3A4HPGDKMT2AMAPK1
SCHEMBL16476536 0.79 MEN1 (0.50) MEN1CYP3A4HPGDKMT2AMAPK1
SCHEMBL17268901 0.79 HDAC1 (0.59) MEN1CYP3A4HPGDKMT2AMAPK1
SCHEMBL11310671 0.79 GAA (0.53) MEN1CYP3A4HPGDKMT2AMAPK1
SCHEMBL10694146 0.79 KMT2A (0.54) MEN1CYP3A4HPGDKMT2AMAPK1
SCHEMBL19477872 0.79 MEN1 (0.54) MEN1CYP3A4HPGDKMT2AMAPK1
SCHEMBL16248729 0.78 L3MBTL1 (0.48) MEN1CYP3A4HPGDKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254318-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-01-27 EP disclosed
EP-0252482-A2 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 EP disclosed
EP-0217372-A2 Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed