SCHEMBL8770831

SCHEMBL8770831

CCCCCCCCCCCCN(CCC=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
DGKA P23743 1/20 0.33
ZDHHC20 Q5W0Z9 2/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DEGS1 O15121 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CNR1 P21554 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL8924940 0.90 PDE4A (0.43) PDE4ALMNAZDHHC20ZDHHC2KDM4E
SCHEMBL8939172 0.80 KDM4E (0.42) TSHRLMNAFAAHTRPV1KDM4E
SCHEMBL7749705 0.80 CA12 (0.40) LMNAZDHHC20ZDHHC2KDM4EDUSP3
SCHEMBL2422782 0.78 CA12 (0.41) ZDHHC20ZDHHC2CA12CA1CA2
SCHEMBL2423529 0.75 ZDHHC20 (0.37) ZDHHC20ZDHHC2CA12CA1CA2
SCHEMBL28762352 0.74 CA1 (0.38) ZDHHC20ZDHHC2CA12CA1CA2
SCHEMBL15216630 0.74 CA12 (0.40) ZDHHC20ZDHHC2CA12CA1CA2
SCHEMBL31758899 0.73 EPHX2 (0.37) PDE4ALMNAKDM4EDUSP3MEN1
SCHEMBL30723269 0.73 EPHX2 (0.37) PDE4ALMNAKDM4EDUSP3MEN1
SCHEMBL30723243 0.73 EPHX2 (0.37) PDE4ALMNAKDM4EDUSP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670844-B1 ALDONAMIDES AND THEIR USE AS SURFACTANTS UNILEVER PLC (GB) 1997-10-01 EP disclosed
EP-0670844-A1 ALDONAMIDES AND THEIR USE AS SURFACTANTS. UNILEVER PLC (GB) 1995-09-13 EP disclosed
WO-1994012511-A1 ALDONAMIDES AND THEIR USE AS SURFACTANTS UNILEVER PLC (GB) 1994-06-09 WO disclosed