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Sugi Predict / Compounds / SCHEMBL903347

SCHEMBL903347

SCHEMBL903347

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCCCCNC(=O)OCc4ccccc4)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CCC4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 6/20 0.65
▸ TUBB P07437 6/20 0.65
▸ TUBA3C P0DPH7 6/20 0.65
▸ TUBA1B P68363 6/20 0.65
▸ TUBA4A P68366 6/20 0.65
▸ TUBB4B P68371 6/20 0.65
▸ TUBB3 Q13509 6/20 0.65
▸ TUBB2A Q13885 6/20 0.65
▸ TUBB8 Q3ZCM7 6/20 0.65
▸ TUBA3E Q6PEY2 6/20 0.65
▸ TUBA1A Q71U36 6/20 0.65
▸ TUBA1C Q9BQE3 6/20 0.65
▸ TUBB6 Q9BUF5 6/20 0.65
▸ TUBB2B Q9BVA1 6/20 0.65
▸ TUBB1 Q9H4B7 6/20 0.65
▸ NPC1 O15118 6/20 0.65
▸ NOD2 Q9HC29 3/20 0.65
▸ ABCB11 O95342 2/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65

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
SCHEMBL125576 0.93 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16216860 0.89 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13130783 0.87 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13134097 0.87 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25576377 0.86 NPC1 (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15118551 0.86 NPC1 (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15147365 0.86 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17620459 0.86 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23642679 0.86 NPC1 (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13661875 0.86 NPC1 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012044832-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS FETZER OLIVER S (US) 2012-04-05 — — WO disclosed