SCHEMBL10434828

SCHEMBL10434828

COC=C(C(=O)OC)c1ccccc1COC(=O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL10387139 0.87 PPARG (0.47) TDP1KMT2ALMNATSHRMAPK1
SCHEMBL10387140 0.87 PPARG (0.47) TDP1KMT2ALMNATSHRMAPK1
SCHEMBL10387141 0.78 PPARG (0.49) TDP1KMT2ALMNAALDH1A1TSHR
SCHEMBL7662857 0.78 ALDH1A1 (0.41) TDP1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL7662861 0.78 ALDH1A1 (0.41) TDP1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL10335735 0.77 TDP1 (0.39) TDP1KMT2ALMNAALDH1A1TSHR
SCHEMBL6571734 0.75 IDO1 (0.41) ALDH1A1KDM4E
SCHEMBL8403431 0.75 IDO1 (0.41) ALDH1A1KDM4E
SCHEMBL9184121 0.75 IDO1 (0.41) ALDH1A1KDM4E
SCHEMBL14937718 0.75 TDP1 (0.65) TDP1KMT2ALMNAALDH1A1TSHR

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-0350691-A2 Heterocyclically substituted alpha-aryl-acrylic-acid esters, and fungicides containing these compounds BASF Aktiengesellschaft (DE) 1990-01-17 EP disclosed