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Sugi Predict / Compounds / SCHEMBL30550555

SCHEMBL30550555

SCHEMBL30550555

C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.55
▸ TUBB P07437 1/20 0.55
▸ TUBA3C P0DPH7 1/20 0.55
▸ TUBA1B P68363 1/20 0.55
▸ TUBA4A P68366 1/20 0.55
▸ TUBB4B P68371 1/20 0.55
▸ TUBB3 Q13509 1/20 0.55
▸ TUBB2A Q13885 1/20 0.55
▸ TUBB8 Q3ZCM7 1/20 0.55
▸ TUBA3E Q6PEY2 1/20 0.55
▸ TUBA1A Q71U36 1/20 0.55
▸ TUBA1C Q9BQE3 1/20 0.55
▸ TUBB6 Q9BUF5 1/20 0.55
▸ TUBB2B Q9BVA1 1/20 0.55
▸ TUBB1 Q9H4B7 1/20 0.55
▸ NPBWR1 P48145 2/20 0.53
▸ GHSR Q92847 8/20 0.52
▸ C5AR1 P21730 1/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSH P09668 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
SCHEMBL31140223 0.92 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29754547 0.92 C5AR1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31473234 0.92 NPBWR1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30636163 0.92 CTSL (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31473233 0.92 NPBWR1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31593311 0.91 NPBWR1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31021132 0.91 KISS1R (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30093071 0.90 C5AR1 (0.54) C5AR1CTSLCTSHCTSSCTSK
SCHEMBL30878115 0.90 GHSR (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29754637 0.90 CTSL (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-116514926-B Anti-tumor cationic amphiphilic peptide and application thereof 烟台药物研究所 2023-08-29 — — CN claimed
CN-116514926-A Anti-tumor cationic amphiphilic peptide and application thereof 烟台药物研究所 2023-08-01 — — CN claimed
CN-116514926-B Anti-tumor cationic amphiphilic peptide and application thereof 烟台药物研究所 2023-08-29 — — CN disclosed
CN-116514926-A Anti-tumor cationic amphiphilic peptide and application thereof 烟台药物研究所 2023-08-01 — — CN disclosed
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