Sugi Predict

Sugi Predict / Compounds / SCHEMBL30415437

SCHEMBL30415437

SCHEMBL30415437

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ EPHA2 P29317 2/20 0.59
▸ RAMP3 O60896 1/20 0.58
▸ CALCR P30988 1/20 0.58
▸ NMUR2 Q9GZQ4 3/20 0.58
▸ NMUR1 Q9HB89 3/20 0.58
▸ NPY2R P49146 7/20 0.57
▸ NPY4R P50391 7/20 0.57
▸ NPY5R Q15761 7/20 0.57
▸ NPY1R P25929 5/20 0.57
▸ TFPI P10646 3/20 0.57
▸ KDM1A O60341 1/20 0.55

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
SCHEMBL29396082 0.90 RAMP3 (0.64) EPHA2RAMP3CALCRNMUR2NMUR1
SCHEMBL7331095 0.88 TFPI (0.60) EPHA2RAMP3CALCRNMUR2NMUR1
SCHEMBL30605455 0.88 MAPK8 (0.61) MAPK8MAPK9MAPK10EPHA2RAMP3
SCHEMBL30429249 0.87 NPY2R (0.65) EPHA2RAMP3CALCRNPY2RNPY4R
SCHEMBL29396808 0.86 RAMP3 (0.60) EPHA2RAMP3CALCRNMUR2NMUR1
SCHEMBL30262164 0.86 EPHA2 (0.62) EPHA2RAMP3CALCRNPY2RNPY4R
SCHEMBL31174208 0.86 CALCR (0.62) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL30640886 0.86 RAMP3 (0.63) EPHA2RAMP3CALCRNMUR2NMUR1
SCHEMBL30901005 0.86 KDM1A (0.59) EPHA2RAMP3CALCRNPY2RNPY4R
SCHEMBL8814395 0.85 NPY2R (0.71) RAMP3CALCRNPY2RNPY4RNPY5R

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
US-20230190918-A1 PICKERING EMULSION-BASED VACCINES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2023-06-22 — — US disclosed
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