SCHEMBL9756780

SCHEMBL9756780

CCCCC(=O)OCC(C)CO

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
KDM4E B2RXH2 1/20 0.59
DUSP3 P51452 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 2/20 0.58
PRKCA P17252 4/20 0.56
PRKCE Q02156 2/20 0.56
PRKCQ Q04759 2/20 0.56
PRKCD Q05655 2/20 0.56
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
DGKA P23743 2/20 0.50
FAAH O00519 2/20 0.48
MAPK1 P28482 1/20 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
SCHEMBL9756779 1.00 LMNA (0.59) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL25902735 0.93 LMNA (0.70) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL25902757 0.93 LMNA (0.70) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL25902740 0.93 LMNA (0.70) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL19862071 0.93 LMNA (0.70) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL25902730 0.93 LMNA (0.70) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL25902733 0.93 LMNA (0.70) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL14047346 0.93 LMNA (0.70) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL25902790 0.93 LMNA (0.70) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL25902736 0.93 LMNA (0.70) LMNAKDM4EDUSP3MEN1KMT2A

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-0316374-B1 OPTICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-07-31 EP claimed