SCHEMBL11033663

SCHEMBL11033663

CC(=O)Oc1ccc(C(OC(C)=O)C(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
CYP3A4 P08684 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ESR1 P03372 3/20 0.46
SLC6A3 Q01959 2/20 0.46
HIF1A Q16665 2/20 0.46
ABCB11 O95342 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
PDE4A P27815 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
STAT6 P42226 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ELANE P08246 3/20 0.46

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
SCHEMBL8069881 0.87 LMNA (0.50) LMNAMAPTPOLBPKMCYP3A4
SCHEMBL1824696 0.81 ALDH1A1 (0.42) LMNAMAPTPOLBPKMCYP3A4
SCHEMBL8994714 0.79 LMNA (0.53) LMNAMAPTPOLBPKMCYP3A4
SCHEMBL12175042 0.79 ALDH1A1 (0.70) MAPTPOLBCYP3A4KDM4ETSHR
SCHEMBL10299137 0.79 ALDH1A1 (0.70) MAPTPOLBCYP3A4KDM4ETSHR
SCHEMBL12175072 0.79 ALDH1A1 (0.70) MAPTPOLBCYP3A4KDM4ETSHR
SCHEMBL24747284 0.78 LMNA (0.62) LMNAMAPTPOLBPKMCYP3A4
SCHEMBL15700661 0.78 LMNA (0.61) LMNAMAPTPOLBPKMCYP3A4
SCHEMBL2359443 0.78 LMNA (0.52) LMNAMAPTPOLBPKMCYP3A4
SCHEMBL269329 0.77 LMNA (0.80) LMNAMAPTPOLBPKMCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59088444-A None JP disclosed
JP-S5988444-A NOVEL ACYLOIN COMPOUND, ITS PRODUCTION AND USE UENO SEIYAKU OYO KENKYUSHO:KK 1984-05-22 JP disclosed