SCHEMBL29683405

SCHEMBL29683405

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
KISS1R Q969F8 18/20 0.54
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51

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
SCHEMBL29461985 0.92 TUBB4A (0.58) C5AR1KISS1RTUBB4ATUBBTUBA3C
SCHEMBL38654759 0.91 C5AR1 (0.62) C5AR1KISS1R
SCHEMBL31680263 0.91 C5AR1 (0.54) C5AR1KISS1RTUBB4ATUBBTUBA3C
SCHEMBL29419550 0.91 MC4R (0.52) C5AR1KISS1RTUBB4ATUBBTUBA3C
SCHEMBL31555133 0.91 MC4R (0.52) C5AR1KISS1RTUBB4ATUBBTUBA3C
SCHEMBL29419493 0.91 MC4R (0.52) C5AR1KISS1RTUBB4ATUBBTUBA3C
SCHEMBL31680253 0.91 C5AR1 (0.61) C5AR1KISS1RTUBB4ATUBBTUBA3C
SCHEMBL29619552 0.91 OPRM1 (0.54)
SCHEMBL31501133 0.90 C5AR1 (0.53) C5AR1KISS1RTUBB4ATUBBTUBA3C
SCHEMBL31257022 0.90 C5AR1 (0.49) C5AR1KISS1RTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112824427-B Short peptide for inhibiting glioma and application thereof 杨小骏 2022-06-24 CN claimed
CN-112824427-B Short peptide for inhibiting glioma and application thereof 杨小骏 2022-06-24 CN disclosed
CN-112824427-B Short peptide for inhibiting glioma and application thereof 杨小骏 2022-06-24 CN disclosed