SCHEMBL19643062

SCHEMBL19643062

O=C(O)CCC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CA12 O43570 4/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 4/20 0.36
▸ CA4 P22748 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ CA14 Q9ULX7 4/20 0.36
▸ EPOR P19235 1/20 0.33
▸ FOLH1 Q04609 2/20 0.32
▸ TLR2 O60603 1/20 0.31
▸ TLR1 Q15399 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL18885626 0.95 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTCA12CA1
SCHEMBL19643024 0.93 SMN1; SMN2 (0.41) SMN1; SMN2HPGDHTTCA12CA1
SCHEMBL17168383 0.91 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTCA12CA1
SCHEMBL19658311 0.91 SMN1; SMN2 (0.43) SMN1; SMN2HPGDHTTCA12CA1
SCHEMBL29467598 0.90 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTEPORFOLH1
SCHEMBL16574886 0.89 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHTTCA12CA1
SCHEMBL15773229 0.88 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTCA12CA1
SCHEMBL19016246 0.87 HPGD (0.41) SMN1; SMN2HPGDHTTCA12CA1
SCHEMBL16485544 0.87 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTCA12CA1
SCHEMBL1578132 0.87 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTCA12CA1

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-3463413-A1 INSULIN RECEPTOR PARTIAL AGONISTS Merck Sharp & Dohme Corp. (US) 2019-04-10 — — EP disclosed
WO-2017205309-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 — — WO disclosed
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