SCHEMBL25028492

SCHEMBL25028492

CCC(C)C(NC(=O)CNC(=O)C(CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(C)NC(C)=O)C(=O)NC(CSCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(CC(N)=O)C(N)=O)C(C)O)C(C)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ TFPI P10646 3/20 0.52
▸ KEAP1 Q14145 2/20 0.52
▸ GLP1R P43220 2/20 0.51
▸ CALCR P30988 3/20 0.49
▸ CTSL P07711 2/20 0.49
▸ CTSS P25774 2/20 0.49
▸ CTSK P43235 2/20 0.49
▸ CTSH P09668 1/20 0.49
▸ IL23R Q5VWK5 1/20 0.49
▸ EP300 Q09472 1/20 0.48
▸ HIF1A Q16665 1/20 0.48

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
SCHEMBL31014198 0.96 MAPK8 (0.56) MAPK8MAPK9MAPK10TFPIKEAP1
SCHEMBL25028618 0.95 KEAP1 (0.54) MAPK8MAPK9MAPK10TFPIKEAP1
SCHEMBL25027403 0.95 MAPK8 (0.53) MAPK8MAPK9MAPK10TFPIKEAP1
SCHEMBL31014203 0.94 MAPK8 (0.60) MAPK8MAPK9MAPK10TFPIKEAP1
SCHEMBL30248733 0.93 MAPK8 (0.58) MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL25028399 0.93 MAPK8 (0.53) MAPK8MAPK9MAPK10TFPIKEAP1
SCHEMBL25027370 0.92 MAPK8 (0.55) MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL31014197 0.91 MAPK8 (0.56) MAPK8MAPK9MAPK10KEAP1CALCR
SCHEMBL30248429 0.91 MAPK8 (0.62) MAPK8MAPK9MAPK10KEAP1CALCR
SCHEMBL25028436 0.90 MAPK8 (0.54) MAPK8MAPK9MAPK10KEAP1GLP1R

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-2023015533-A1 SYNTHETIC PEPTIDE, AND COSMETIC COMPOSITION OR PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 深圳市维琪医药研发有限公司 2023-02-16 — — WO disclosed
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