SCHEMBL31186337

SCHEMBL31186337

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.64
▸ MAPK9 P45984 1/20 0.64
▸ MAPK10 P53779 1/20 0.64
▸ KDM1A O60341 3/20 0.58
▸ REN P00797 11/20 0.58
▸ MAOB P27338 1/20 0.53
▸ KDM5A P29375 1/20 0.53
▸ KDM1B Q8NB78 1/20 0.53
▸ OPRM1 P35372 3/20 0.52
▸ OPRK1 P41145 3/20 0.52

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
SCHEMBL21164378 0.90 REN (0.60) MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL21164377 0.90 REN (0.56) MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL31362627 0.88 MAPK8 (0.54) MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL29607530 0.88 MAPK8 (0.74) MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL29666850 0.88 MAPK8 (0.62) MAPK8MAPK9MAPK10KDM1AOPRM1
SCHEMBL29666843 0.87 MAPK8 (0.63) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL29666827 0.87 MAPK8 (0.59) MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL29607801 0.87 MAPK8 (0.72) MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL30750439 0.87 KDM1A (0.65) MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL31219332 0.86 REN (0.54) MAPK8MAPK9MAPK10RENOPRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530301-B Cyclic peptide GS-derived linear decapeptide and application thereof 遵义医科大学珠海校区 2025-03-25 — — CN claimed
CN-118530301-A Cyclic peptide GS-derived linear decapeptide and application thereof 遵义医科大学珠海校区 2024-08-23 — — CN claimed
CN-118530301-B Cyclic peptide GS-derived linear decapeptide and application thereof 遵义医科大学珠海校区 2025-03-25 — — CN disclosed
CN-118530301-A Cyclic peptide GS-derived linear decapeptide and application thereof 遵义医科大学珠海校区 2024-08-23 — — CN disclosed
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