SCHEMBL18824835

SCHEMBL18824835

COc1ccc(C[C@H]2NC(=O)C=CC[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCCC(=O)O)C(C)C)cc3)OC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C(C)NC2=O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.53
TUBB P07437 4/20 0.53
TUBA3C P0DPH7 4/20 0.53
TUBA1B P68363 4/20 0.53
TUBA4A P68366 4/20 0.53
TUBB4B P68371 4/20 0.53
TUBB3 Q13509 4/20 0.53
TUBB2A Q13885 4/20 0.53
TUBB8 Q3ZCM7 4/20 0.53
TUBA3E Q6PEY2 4/20 0.53
TUBA1A Q71U36 4/20 0.53
TUBA1C Q9BQE3 4/20 0.53
TUBB6 Q9BUF5 4/20 0.53
TUBB2B Q9BVA1 4/20 0.53
TUBB1 Q9H4B7 4/20 0.53
PRKAR2A P13861 2/20 0.30
PRKAR2B P31323 2/20 0.30
PCSK9 Q8NBP7 1/20 0.30
F2 P00734 1/20 0.30

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
SCHEMBL21218598 1.00 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218596 1.00 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218597 1.00 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218647 0.95 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218651 0.95 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218649 0.95 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218678 0.95 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218677 0.95 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21227210 0.94 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21218615 0.94 TUBB4A (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371179-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2018-09-12 EP disclosed
WO-2017076998-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2017-05-11 WO disclosed