SCHEMBL1699785

SCHEMBL1699785

CCOC(CC(N)OC(N)=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
LMNA P02545 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 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
SCHEMBL4672910 0.73
SCHEMBL30949855 0.72
SCHEMBL15915435 0.71 ALOX15 (0.36) ALOX15LMNA
SCHEMBL27703023 0.70
SCHEMBL608446 0.70
SCHEMBL9495241 0.68 ALOX15 (0.42) ALOX15LMNACHRM2CHRM4CHRM5
SCHEMBL7704110 0.68 TSHR (0.39) ALOX15LMNACHRM2CHRM4CHRM1
SCHEMBL4137634 0.67 ALOX15 (0.40) ALOX15LMNA
SCHEMBL9472675 0.67 THRB (0.35) LMNACHRM1CHRM3
SCHEMBL16290200 0.67 CA2 (0.47) LMNACHRM2CHRM4CHRM5CHRM1

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
WO-2011005980-A1 NOVEL HETEROBIFUNCTIONAL POLYETHYLENE GLYCOL REAGENTS, THEIR PREPARATION AND USES THEREOF INTRADIGM CORPORATION (US) 2011-01-13 WO disclosed