SCHEMBL18210992

SCHEMBL18210992

CO[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C3[C@](C)(C(=O)[C@H](CO)C(=C1C)C2(C)C)[C@@H](C)C[C@H]1OC[C@@]31OC(C)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.69
TUBB4A P04350 4/20 0.69
TUBB P07437 4/20 0.69
TUBA3C P0DPH7 4/20 0.69
TUBA1B P68363 4/20 0.69
TUBA4A P68366 4/20 0.69
TUBB4B P68371 4/20 0.69
TUBB3 Q13509 4/20 0.69
TUBB2A Q13885 4/20 0.69
TUBB8 Q3ZCM7 4/20 0.69
TUBA3E Q6PEY2 4/20 0.69
TUBA1A Q71U36 4/20 0.69
TUBA1C Q9BQE3 4/20 0.69
TUBB6 Q9BUF5 4/20 0.69
TUBB2B Q9BVA1 4/20 0.69
TUBB1 Q9H4B7 4/20 0.69
ABCB11 O95342 2/20 0.69
NOD2 Q9HC29 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69

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
SCHEMBL17208673 0.94 NPC1 (0.68) NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17208664 0.94 NPC1 (0.68) NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18211051 0.94 NPC1 (0.66) NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15144542 0.91 NPC1 (0.63) NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL127758 0.89 NPC1 (0.66) NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11990636 0.89 NPC1 (0.66) NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL125707 0.89 NPC1 (0.66) NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17208665 0.89 NPC1 (0.65) NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17208671 0.89 NPC1 (0.65) NPC1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17208670 0.88 NPC1 (0.77) NPC1TUBB4ATUBBTUBA3CTUBA1B

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
US-9487496-B2 Process for the preparation of cabazitaxel and its intermediates INTAS PHARMACEUTICALS LIMITED (IN) 2016-11-08 US disclosed