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Phakellistatin 12

Phakellistatin 12

SCHEMBL2353639

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.58

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.51
▸ ST14 Q9Y5Y6 1/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ PLG P00747 1/20 0.49
▸ OXTR P30559 1/20 0.49

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
SCHEMBL29711638 0.95 ABCB1 (0.53) ABCB1PLGOXTR
SCHEMBL29711614 0.93 ABCB1 (0.51) ABCB1HDAC4PLGOXTR
SCHEMBL29711439 0.93 ABCB1 (0.52) ABCB1HDAC4PLG
Axinastatin 5 SCHEMBL8569878 0.90 HDAC8 (0.48) HDAC4
Stylisin 2 SCHEMBL30825000 0.90 HDAC4 (0.56) HDAC4OXTR
Hymenistatin 1 SCHEMBL25456477 0.89 HDAC8 (0.51) —
Hymenistatin 1 SCHEMBL29593232 0.89 HDAC8 (0.51) —
SCHEMBL29387556 0.89 ABCB1 (0.57) ABCB1HDAC4OXTR
Stylopeptide SCHEMBL31094295 0.88 HDAC4 (0.53) ABCB1HDAC4OXTR
SCHEMBL29220474 0.88 ABCB1 (0.55) ABCB1HDAC4OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1152050-C Cyclopeptide compound phakellistatin 12 with anticancer activity 中国人民解放军第二军医大学 2004-06-02 — — CN claimed
CN-1396177-A Cyclopeptide compound phakellistatin 12 with anticancer activity MILITARY MEDICAL UNIV NO 2 P L (CN) 2003-02-12 — — CN claimed
WO-2011101510-A1 CYCLIC PEPTIDES THAT INHIBIT CELL GROWTH UNIVERSITAT DE GIRONA (ES) 2011-08-25 — — WO disclosed
CN-1152050-C Cyclopeptide compound phakellistatin 12 with anticancer activity 中国人民解放军第二军医大学 2004-06-02 — — CN disclosed
CN-1152050-C Cyclopeptide compound phakellistatin 12 with anticancer activity 中国人民解放军第二军医大学 2004-06-02 — — CN disclosed
CN-1396177-A Cyclopeptide compound phakellistatin 12 with anticancer activity MILITARY MEDICAL UNIV NO 2 P L (CN) 2003-02-12 — — CN disclosed