SCHEMBL1509903

SCHEMBL1509903

CC(C)(C)C1CC(=O)N(OC(=O)CCCCCCCCCCCCC(=O)O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.35
PTGER3 P43115 2/20 0.35
TBXA2R P21731 1/20 0.33
TSHR P16473 2/20 0.33
PRKCA P17252 5/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
VCAM1 P19320 1/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
PTGER4 P35408 1/20 0.31
PTGS1 P23219 4/20 0.31
PTGS2 P35354 4/20 0.31
SCD O00767 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
SCHEMBL7905682 0.96 TSHR (0.37) PTGER2PTGER3TSHRVCAM1
SCHEMBL208988 0.81 TSHR (0.36) TSHRPRKCAMEN1GAAKMT2A
SCHEMBL23111823 0.81 TSHR (0.35) PTGER2TBXA2RTSHRPRKCAMEN1
SCHEMBL13650694 0.79 MT-CO2 (0.31)
SCHEMBL4969197 0.79 TSHR (0.33) PTGER2TBXA2RTSHRPRKCAMEN1
SCHEMBL8379082 0.79 FAAH (0.36) PTGER2PTGER3TSHRPRKCAMEN1
SCHEMBL13990672 0.76 MEN1 (0.32) TSHRMEN1GAAKMT2ALMNA
SCHEMBL2725347 0.76 MEN1 (0.32) PTGER2PTGER3TBXA2RTSHRMEN1
SCHEMBL1580301 0.76 MEN1 (0.32) PTGER2PTGER3TBXA2RTSHRMEN1
SCHEMBL9443639 0.76

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
EP-2292653-B1 Novel insulin derivatives NOVO NORDISK AS (DK) 2014-05-21 EP disclosed
EP-2292653-A1 Novel insulin derivatives Novo Nordisk A/S (DK) 2011-03-09 EP disclosed