SCHEMBL31450150

SCHEMBL31450150

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ NPSR1 Q6W5P4 6/20 0.48
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SIRT2 Q8IXJ6 3/20 0.43

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
SCHEMBL29534108 0.94 TDP1 (0.42) TDP1PAX8NPSR1MAPTMEN1
SCHEMBL12994492 0.88 SIRT2 (0.41) TDP1PAX8NPSR1MAPTSIRT2
SCHEMBL29702317 0.84 SIRT2 (0.42) TDP1PAX8NPSR1MAPTSIRT2
Hydrochloric Acid SCHEMBL31450109 0.83 MDM2 (0.44) TDP1PAX8NPSR1MAPTMEN1
SCHEMBL1755615 0.81 TDP1 (0.61) TDP1PAX8NPSR1MAPTMEN1
SCHEMBL29702316 0.81 SIRT2 (0.39) TDP1PAX8SIRT2
SCHEMBL31450152 0.81 TLR2 (0.42) TDP1PAX8NPSR1MAPTMEN1
SCHEMBL7368138 0.80 SIRT2 (0.51) SIRT2
SCHEMBL17859348 0.80 SIRT2 (0.51) SIRT2
SCHEMBL29702381 0.79 MDM2 (0.49) KMT2ASIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661633-A Method for full liquid phase synthesis of blue copper peptide 湖南益安生物科技有限公司 2025-03-21 — — CN disclosed
CN-119638822-A Full liquid phase synthesis method of oligopeptide-1 湖南益安生物科技有限公司 2025-03-18 — — CN disclosed
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