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Sugi Predict / Compounds / SCHEMBL29484172

SCHEMBL29484172

SCHEMBL29484172

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.59
▸ NPBWR1 P48145 2/20 0.52
▸ PRKACB P22694 1/20 0.51
▸ CXCR4 P61073 2/20 0.50
▸ PRMT1 Q99873 1/20 0.50
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSH P09668 1/20 0.49
▸ GLP1R P43220 3/20 0.48
▸ IL23R Q5VWK5 3/20 0.48
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 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
SCHEMBL29754547 0.95 C5AR1 (0.55) C5AR1PRKACBCTSLCTSSCTSK
SCHEMBL30974091 0.95 C5AR1 (0.57) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29419495 0.94 C5AR1 (0.59) C5AR1NPBWR1GLP1RIL23RTUBB4A
SCHEMBL30518049 0.94 C5AR1 (0.53) C5AR1NPBWR1PRKACBCXCR4PRMT1
SCHEMBL30974212 0.94 C5AR1 (0.56) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL30518100 0.93 C5AR1 (0.63) C5AR1NPBWR1GLP1RIL23RTUBB4A
SCHEMBL29461990 0.92 C5AR1 (0.54) C5AR1PRKACBCXCR4CTSLCTSS
SCHEMBL31593311 0.92 NPBWR1 (0.57) C5AR1NPBWR1CXCR4CTSLCTSS
SCHEMBL30866237 0.91 NPBWR1 (0.55) C5AR1NPBWR1PRKACBCXCR4PRMT1
SCHEMBL30974330 0.91 GLP1R (0.57) C5AR1GLP1RIL23RGCGR

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
CN-112263712-B Peritoneal repair material with antibacterial property and preparation method thereof 中山大学附属第六医院 2022-04-29 — — CN disclosed
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