SCHEMBL19088596

SCHEMBL19088596

O=C(C[C@@H](O)c1ccc(N2CCOCC2)nc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.44
DGAT1 O75907 2/20 0.43
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
AOC3 Q16853 4/20 0.42
ALDH1A1 P00352 2/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
LIPE Q05469 1/20 0.41
PRMT5 O14744 3/20 0.41
CYP11B2 P19099 1/20 0.40

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
SCHEMBL18256436 0.84 MEN1 (0.48) MEN1KMT2ANPSR1KDM4EDGAT1
SCHEMBL31560871 0.84 MEN1 (0.48) MEN1KMT2ANPSR1KDM4EDGAT1
SCHEMBL19088554 0.80 AOC3 (0.53) MEN1KMT2ANPSR1KDM4EDGAT1
SCHEMBL18248176 0.79 MEN1 (0.47) MEN1KMT2ANPSR1KDM4EDGAT1
SCHEMBL19245059 0.77 AOC3 (0.50) MEN1KMT2ANPSR1KDM4EDGAT1
SCHEMBL23279498 0.76 KDM4E (0.47) MEN1KMT2ANPSR1KDM4EDGAT1
SCHEMBL18256437 0.74 LMNA (0.54) MEN1KMT2ANPSR1KDM4EDGAT1
SCHEMBL19066710 0.74 MEN1 (0.47) MEN1KMT2ANPSR1KDM4EDGAT1
SCHEMBL23279546 0.74 KDM4E (0.45) MEN1KMT2ANPSR1KDM4EDGAT1
SCHEMBL21447852 0.74 MEN1 (0.46) MEN1KMT2ANPSR1KDM4ETSHR

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
WO-2017116702-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2017-07-06 WO disclosed