SCHEMBL29914215

SCHEMBL29914215

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ RAMP3 O60896 8/20 0.49
▸ CALCR P30988 8/20 0.49
▸ NPY2R P49146 7/20 0.47
▸ NPY4R P50391 7/20 0.47
▸ NPY5R Q15761 7/20 0.47
▸ NPY1R P25929 5/20 0.47
▸ F2 P00734 1/20 0.47
▸ KEAP1 Q14145 1/20 0.46

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
SCHEMBL29914214 0.98 MAPK8 (0.52) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL29569390 0.91 MAPK8 (0.48) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL29569097 0.89 MAPK8 (0.47) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL29569702 0.88 MAPK8 (0.47) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL29914211 0.87 PTPN1 (0.48) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL29776766 0.87 MAPK8 (0.58) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL29914213 0.86 BACE1 (0.50) —
SCHEMBL29568390 0.86 NPY2R (0.47) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL30844275 0.86 NPY2R (0.52) MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30075807 0.85 PTPN1 (0.47) MAPK8MAPK9MAPK10RAMP3CALCR

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-11426441-B2 Composition comprising protein phosphatase 1 inhibitory peptide for treating vascular diseases BETHPHAGEN INC. (KR) 2022-08-30 — — US disclosed
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