SCHEMBL5861469

SCHEMBL5861469

Cc1nc(/C=C/[C@H](CC(=O)N2C(=O)O[C@H](c3ccccc3)[C@@H]2C)O[Si](C)(C)C(C)(C)C)cs1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL5672726 0.85 HDAC1 (0.34) HDAC1HDAC2
SCHEMBL5229466 0.84
SCHEMBL6293531 0.84
SCHEMBL6139430 0.84
SCHEMBL5229660 0.76 IDH1 (0.31)
SCHEMBL5227605 0.76 IDH1 (0.31)
SCHEMBL5227610 0.76 IDH1 (0.31)
SCHEMBL5674587 0.73 MEN1 (0.34) HDAC1HDAC2
SCHEMBL5674581 0.73 MEN1 (0.34) HDAC1HDAC2
SCHEMBL12600039 0.72 HDAC4 (0.36)

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
US-7001916-B1 Epothilon derivatives, method for the production and the use thereof as pharmaceuticals SCHERING, AG (DE) 2006-02-21 US disclosed
EP-1161430-A2 EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2001-12-12 EP disclosed
WO-2000047584-A2 EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-17 WO disclosed