SCHEMBL7648717

SCHEMBL7648717

COc1ccc(OP(=O)(CCCN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ELANE P08246 1/20 0.35
FDPS P14324 1/20 0.34
CPB2 Q96IY4 1/20 0.33
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL7649478 0.91 L3MBTL1 (0.35) L3MBTL1HDAC6HDAC1HDAC2ELANE
SCHEMBL7645723 0.90 L3MBTL1 (0.42) L3MBTL1HDAC6HDAC1HDAC2ELANE
SCHEMBL15659860 0.75 L3MBTL1 (0.47) L3MBTL1HDAC6HDAC1HDAC2SMN1; SMN2
SCHEMBL7647362 0.75 HDAC6 (0.37) L3MBTL1HDAC6HDAC1HDAC2
SCHEMBL7645860 0.74 HDAC6 (0.39) L3MBTL1HDAC6HDAC1HDAC2CA1
SCHEMBL7645171 0.71 ALOX5 (0.39) FDPSNPC1RAB9ACA1CA2
SCHEMBL20383538 0.70 HDAC6 (0.45) L3MBTL1HDAC6HDAC1HDAC2
SCHEMBL7651071 0.70 HDAC6 (0.34) L3MBTL1HDAC6HDAC1HDAC2
SCHEMBL16363852 0.66 L3MBTL1 (0.39) L3MBTL1
SCHEMBL7643577 0.66 GSK3B (0.41) LMNANPC1RAB9ACA1CA2

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