SCHEMBL8676567

SCHEMBL8676567

CC(C)[C@](CCC(OCc1ccccc1)OCn1cnc2c(=O)[nH]c(N)nc21)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BLM P54132 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
VCP P55072 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
PNP P00491 7/20 0.45
PDE3A Q14432 1/20 0.45
HBB P68871 2/20 0.43
MAPK1 P28482 1/20 0.43
NOS1 P29475 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
EDNRA P25101 1/20 0.41
HTR2A P28223 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL4901750 0.88 MEN1 (0.54) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL4910020 0.84 PNP (0.50) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9414135 0.82 MEN1 (0.52) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL8676556 0.81 MEN1 (0.47) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9414133 0.81 MEN1 (0.48) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL14128475 0.79 PNP (0.46) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL8448751 0.78 MEN1 (0.58) MEN1KMT2ABLMALDH1A1PNP
SCHEMBL14128474 0.77 PNP (0.46) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL8014916 0.77 MEN1 (0.53) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9298573 0.76 PDE3A (0.60) MEN1KMT2ABLMALDH1A1LMNA

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
US-5840891-A VIRICIDES WITH IMPROVED ABSORPTION SYNTEX (U.S.A.) INC. (US) 1998-11-24 US disclosed