SCHEMBL5597973

SCHEMBL5597973

CON=C(C(=O)OCCC(C)C)c1ccccc1CCl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.43
HTT P42858 1/20 0.39
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PPARG P37231 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
KCNA5 P22460 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5597636 0.88 ALDH1A1 (0.47) HIF1AHTTALDH1A1KDM4ETSHR
SCHEMBL5598036 0.86 HIF1A (0.46) HIF1AALDH1A1TSHRLMNATDP1
SCHEMBL5597762 0.84 TSHR (0.48) HIF1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL3625149 0.83 HIF1A (0.47) HIF1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL8203671 0.83 HIF1A (0.47) HIF1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL3625146 0.83 HIF1A (0.47) HIF1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL5597923 0.83 TSHR (0.49) HIF1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL5597784 0.82 HIF1A (0.46) HIF1AALDH1A1TSHRLMNAGAA
SCHEMBL5597921 0.82 HIF1A (0.42) HIF1AHTTALDH1A1TSHR
SCHEMBL5597674 0.82 HTT (0.43) HTTCYP19A1ALDH1A1KDM4EPPARG

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-0765304-B2 METHOD OF PREPARING ALPHA-METHOXYIMINOCARBOXYLIC ACID METHYLAMIDES, AND INTERMEDIATES USED IN THE METHOD BAYER CROPSCIENCE AG (DE) 2007-08-22 EP claimed