SCHEMBL12018903

SCHEMBL12018903

CC(C)(C)C(=O)Oc1ccc2c(c1)Oc1cc(OC(=O)C(C)(C)C)ccc1C2(OC=O)c1cccc(C(=O)NCCCCCC(=O)NCCOCCOCCCCCCCl)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HDAC3 O15379 7/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HDAC6 Q9UBN7 8/20 0.33
▸ HDAC1 Q13547 5/20 0.33
▸ HDAC4 P56524 3/20 0.32
▸ HDAC7 Q8WUI4 3/20 0.32
▸ HDAC2 Q92769 3/20 0.32
▸ HDAC10 Q969S8 3/20 0.32
▸ HDAC11 Q96DB2 3/20 0.32
▸ HDAC8 Q9BY41 3/20 0.32
▸ HDAC9 Q9UKV0 3/20 0.32
▸ HDAC5 Q9UQL6 3/20 0.32
▸ NAMPT P43490 2/20 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
SCHEMBL12925030 0.94 MAPT (0.40) GAAMAPTHDAC3SMN1; SMN2
SCHEMBL12018901 0.93 HDAC6 (0.34) MAPTHDAC3SMN1; SMN2HDAC6HDAC1
SCHEMBL16503905 0.85 LMNA (0.33) MAPTHDAC3SMN1; SMN2HDAC6HDAC1
SCHEMBL4403236 0.85 GSTP1 (0.45) MAPTHDAC6
SCHEMBL4403233 0.84 GSTP1 (0.41) MAPTHDAC6
SCHEMBL14330482 0.84 HDAC3 (0.33) MAPTHDAC3SMN1; SMN2HDAC6HDAC1
SCHEMBL4437789 0.83 HPGD (0.40) MAPTHDAC3SMN1; SMN2HDAC6HDAC1
SCHEMBL12671652 0.83 HDAC6 (0.33) MAPTHDAC3SMN1; SMN2HDAC6HDAC1
SCHEMBL16153101 0.82 HDAC6 (0.33) MAPTHDAC3SMN1; SMN2HDAC6HDAC1
SCHEMBL15976894 0.82 HDAC3 (0.33) MAPTHDAC3SMN1; SMN2HDAC6HDAC1

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
US-20120220013-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORPORATION (US) 2012-08-30 — — US disclosed
US-7425436-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2008-09-16 — — US disclosed
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