SCHEMBL7645860

SCHEMBL7645860

COC(=O)CCOP(=O)(CCCN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OCCC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL7647362 0.88 HDAC6 (0.37) HDAC6HDAC1HDAC2L3MBTL1CA14
SCHEMBL7651071 0.80 HDAC6 (0.34) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL20383538 0.74 HDAC6 (0.45) HDAC6HDAC1HDAC2L3MBTL1CA14
SCHEMBL7648717 0.74 L3MBTL1 (0.44) HDAC6HDAC1HDAC2L3MBTL1CA1
SCHEMBL7645723 0.72 L3MBTL1 (0.42) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL7649478 0.71 L3MBTL1 (0.35) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL7644146 0.68 TSHR (0.47) L3MBTL1CA12CA14
SCHEMBL7649205 0.67 TSHR (0.41) CA12CA1CA2CA14
SCHEMBL16363852 0.67 L3MBTL1 (0.39) L3MBTL1
SCHEMBL28153358 0.66 CA14 (0.44) HDAC6HDAC1HDAC2CA12CA1

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-2002008235-A1 MEDICAMENT FOR ORAL APPLICATION, CONTAINING AMINOPROPYL PHOSPHONIC ACID ESTERS AS AN ACTIVE INGREDIENT JOMAA PHARMAKA GMBH (DE) 2002-01-31 WO disclosed