SCHEMBL19934110

SCHEMBL19934110

CCC(=O)NCCOCCNC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ FAAH O00519 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LPAR1 Q92633 2/20 0.34
▸ LPAR2 Q9HBW0 2/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL20365824 0.96 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTKMT2AMEN1
SCHEMBL21767237 0.95 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTKMT2AMEN1
SCHEMBL19732523 0.93 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTKMT2AFAAH
SCHEMBL17885935 0.92 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTKMT2AFAAH
SCHEMBL15763867 0.91 SMN1; SMN2 (0.41) SMN1; SMN2HPGDHTTKMT2AMEN1
SCHEMBL19732507 0.90 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTKMT2AFAAH
SCHEMBL17145176 0.90 HPGD (0.40) SMN1; SMN2HPGDHTTKMT2AMEN1
SCHEMBL20008742 0.90 SMN1; SMN2 (0.48) SMN1; SMN2HPGDHTTKMT2AMEN1
SCHEMBL12690424 0.89 SMN1; SMN2 (0.40) SMN1; SMN2HPGDHTTKMT2AMEN1
SCHEMBL30837144 0.89 SMN1; SMN2 (0.40) SMN1; SMN2HPGDHTTKMT2AMEN1

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-2018045385-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2018-03-08 — — WO disclosed
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