SCHEMBL11234459

SCHEMBL11234459

O=S(=O)(O)CCCNC(CO)CCO

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
APP P05067 1/20 0.35
LMNA P02545 2/20 0.34
ADRA1A P35348 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ABCC3 O15438 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Water SCHEMBL28426220 0.92 APP (0.35) CNR1APPLMNAADRA1ATDP1
SCHEMBL11242154 0.91 CNR1 (0.38) CNR1APPLMNAADRA1ATDP1
SCHEMBL11137491 0.90 LMNA (0.35) CNR1LMNAADRA1ATDP1KDM4E
SCHEMBL11247302 0.88 APP (0.41) CNR1APPLMNAADRA1ATDP1
SCHEMBL10230800 0.85 LMNA (0.41) CNR1APPLMNAADRA1ATDP1
SCHEMBL10230802 0.85 LMNA (0.41) CNR1APPLMNAADRA1ATDP1
SCHEMBL353710 0.85 LMNA (0.41) CNR1APPLMNAADRA1ATDP1
SCHEMBL352706 0.84 LMNA (0.39) CNR1APPLMNAADRA1ATDP1
SCHEMBL13255325 0.84 LMNA (0.39) CNR1APPLMNAADRA1ATDP1
SCHEMBL11150374 0.83 CNR1 (0.35) CNR1APPLMNAADRA1ATDP1

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-4322324-A Ampho-ionic group-containing alkyd resins NIPPON PAINT CO., LTD. (JP) 1982-03-30 US disclosed