SCHEMBL6811299

SCHEMBL6811299

CC(=O)N(CC(=O)NCC(=O)NCC(=O)O)SC(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GPR139 Q6DWJ6 2/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ABAT P80404 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL8886846 0.73 ABAT (0.39) KMT2AMAPTGPR139CTSLITGB3
SCHEMBL14417102 0.73 GPR139 (0.52) KMT2AMAPTALDH1A1GPR139MEN1
SCHEMBL1055212 0.73 GPR139 (0.52) KMT2AMAPTALDH1A1GPR139MEN1
SCHEMBL8886828 0.71 MMP2 (0.36) KMT2AMAPTGPR139SMN1; SMN2GAA
SCHEMBL8886821 0.71 CTSS (0.41) KMT2AMAPTALDH1A1GPR139CTSL
SCHEMBL8132701 0.70 MME (0.44) KMT2AMAPTALDH1A1GPR139ITGB3
SCHEMBL7515133 0.70 KDM4E (0.59) KMT2AMAPTGPR139CTSLMEN1
SCHEMBL7293621 0.70 KDM4E (0.59) KMT2AMAPTGPR139CTSLMEN1
SCHEMBL8595095 0.69 GPR139 (0.55) KMT2AMAPTALDH1A1GPR139ITGB3
SCHEMBL9067652 0.68 GPR139 (0.57) KMT2AMAPTALDH1A1GPR139MEN1

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
EP-0799050-B1 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORP (US) 2004-08-11 EP claimed