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SCHEMBL8546175

SCHEMBL8546175

CCOC(=O)C(CC(=O)OCC(=O)OC(C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)C(NC(=O)OC(C)(C)C)c1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 6/20 0.71
▸ TUBB P07437 6/20 0.71
▸ TUBA3C P0DPH7 6/20 0.71
▸ TUBA1B P68363 6/20 0.71
▸ TUBA4A P68366 6/20 0.71
▸ TUBB4B P68371 6/20 0.71
▸ TUBB3 Q13509 6/20 0.71
▸ TUBB2A Q13885 6/20 0.71
▸ TUBB8 Q3ZCM7 6/20 0.71
▸ TUBA3E Q6PEY2 6/20 0.71
▸ TUBA1A Q71U36 6/20 0.71
▸ TUBA1C Q9BQE3 6/20 0.71
▸ TUBB6 Q9BUF5 6/20 0.71
▸ TUBB2B Q9BVA1 6/20 0.71
▸ TUBB1 Q9H4B7 6/20 0.71
▸ NPC1 O15118 6/20 0.71
▸ ABCB11 O95342 2/20 0.71
▸ NOD2 Q9HC29 2/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71

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
SCHEMBL8555148 0.93 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13130783 0.92 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13134097 0.92 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11990620 0.91 TUBB4A (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12107358 0.91 NPC1 (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL126981 0.90 NPC1 (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8550214 0.90 NPC1 (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8546684 0.90 RAB9A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12667934 0.90 NPC1 (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16216860 0.90 TUBB4A (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693485-B1 Baccatin derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1998-06-03 — — EP disclosed
US-5677470-A CHEMICAL INTERMEDIATES; ANTITUMOR AGENTS TANABE SEIYAKU CO., LTD. (JP) 1997-10-14 — — US disclosed
EP-0693485-A2 Baccatin derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-01-24 — — EP disclosed