SCHEMBL29608097

SCHEMBL29608097

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.61
▸ MAPK9 P45984 1/20 0.61
▸ MAPK10 P53779 1/20 0.61
▸ KEAP1 Q14145 1/20 0.55
▸ REN P00797 11/20 0.53
▸ KISS1R Q969F8 2/20 0.51
▸ KDM1A O60341 1/20 0.49
▸ CDK4 P11802 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ NPY4R P50391 1/20 0.47

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
SCHEMBL29607025 0.96 MAPK8 (0.63) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL31462013 0.92 MAPK8 (0.59) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL29607801 0.91 MAPK8 (0.72) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL31462011 0.91 MAPK8 (0.59) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL29416073 0.91 KDM1A (0.57) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL29607286 0.90 MAPK8 (0.66) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL29534390 0.89 KDM1A (0.54) MAPK8MAPK9MAPK10KEAP1KISS1R
SCHEMBL31177227 0.88 MAPK8 (0.60) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL31410829 0.88 MAPK8 (0.62) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL31026121 0.88 NPY4R (0.54) KEAP1KISS1RKDM1ANPY4R

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-20220120732-A1 TREATMENT OF DISEASES WITH MULTIMERIC PEPTIDES RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-04-21 — — US disclosed
Send feedback