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Sugi Predict / Compounds / SCHEMBL29416073

SCHEMBL29416073

SCHEMBL29416073

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.57
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ KISS1R Q969F8 2/20 0.54
▸ KEAP1 Q14145 1/20 0.53
▸ NPY4R P50391 6/20 0.51
▸ MAOB P27338 1/20 0.51
▸ KDM5A P29375 1/20 0.51
▸ KDM1B Q8NB78 1/20 0.51
▸ REN P00797 4/20 0.50
▸ VIPR1 P32241 1/20 0.49
▸ VIPR2 P41587 1/20 0.49
▸ NPY1R P25929 3/20 0.49
▸ NPY2R P49146 3/20 0.49
▸ NPY5R Q15761 3/20 0.49
▸ TFPI P10646 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
SCHEMBL30436402 0.91 KEAP1 (0.55) KDM1AMAPK8MAPK9MAPK10KISS1R
SCHEMBL29608097 0.91 MAPK8 (0.61) KDM1AMAPK8MAPK9MAPK10KISS1R
SCHEMBL29607025 0.88 MAPK8 (0.63) MAPK8MAPK9MAPK10KEAP1NPY4R
SCHEMBL31410866 0.88 KDM1A (0.54) KDM1AMAPK8MAPK9MAPK10KISS1R
SCHEMBL29357733 0.87 REN (0.57) REN
SCHEMBL31026121 0.85 NPY4R (0.54) KDM1AKISS1RKEAP1NPY4RNPY1R
SCHEMBL30942554 0.85 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31462013 0.85 MAPK8 (0.59) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL29666842 0.85 MAPK8 (0.49) KDM1AMAPK8MAPK9MAPK10KEAP1
SCHEMBL31462011 0.85 MAPK8 (0.59) MAPK8MAPK9MAPK10KEAP1REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110381984-B Compositions and methods for improving sexual function 尼莫克斯股份有限公司 2023-11-28 — — CN disclosed
EP-4275688-A2 METHOD OF AMELIORATING OR PREVENTING THE WORSENING OR THE PROGRESSION OF SYMPTOMS OF BPH Nymox Corporation (BS) 2023-11-15 — — EP disclosed
CN-116785403-A Neurofilament peptides for preventing or slowing the progression of prostate cancer 尼莫克斯股份有限公司 2023-09-22 — — CN disclosed
CN-109310732-B Neurofilament peptides for preventing or slowing the progression of prostate cancer 尼莫克斯股份有限公司 2023-07-21 — — CN disclosed
CN-114099636-A Method of treating a condition requiring cell destruction or removal using peptides derived from neurofilament proteins 尼莫克斯制药公司 2022-03-01 — — CN disclosed
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