SCHEMBL16503905

SCHEMBL16503905

Cc1cc(C(=O)NCCCCCC(=O)NCCOCCOCCCCCCCl)ccc1C1(OCO)c2ccc(OC(=O)C(C)(C)C)cc2Oc2cc(OC(=O)C(C)(C)C)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HDAC3 O15379 6/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HDAC6 Q9UBN7 8/20 0.32
▸ HDAC1 Q13547 5/20 0.32
▸ HDAC4 P56524 4/20 0.32
▸ HDAC7 Q8WUI4 4/20 0.32
▸ HDAC2 Q92769 4/20 0.32
▸ HDAC10 Q969S8 4/20 0.32
▸ HDAC11 Q96DB2 4/20 0.32
▸ HDAC8 Q9BY41 4/20 0.32
▸ HDAC9 Q9UKV0 4/20 0.32
▸ HDAC5 Q9UQL6 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL14330482 0.96 HDAC3 (0.33) LMNAPOLBHDAC3HPGDHDAC6
SCHEMBL12085744 0.94 LMNA (0.39) LMNAPOLBHPGDMAPTCNR1
SCHEMBL12018901 0.87 HDAC6 (0.34) HDAC3HDAC6HDAC1HDAC4HDAC7
SCHEMBL12018903 0.85 GAA (0.34) HDAC3HDAC6HDAC1HDAC4HDAC7
SCHEMBL4403236 0.84 GSTP1 (0.45) LMNAHDAC6MAPTMEN1ALDH1A1
SCHEMBL15976894 0.84 HDAC3 (0.33) HDAC3HPGDHDAC6HDAC1HDAC4
SCHEMBL4437789 0.84 HPGD (0.40) HDAC3HPGDHDAC6HDAC1HDAC4
SCHEMBL12671652 0.84 HDAC6 (0.33) HDAC3HPGDHDAC6HDAC1HDAC4
SCHEMBL4403233 0.84 GSTP1 (0.41) LMNAHDAC6MAPTMEN1ALDH1A1
SCHEMBL16153101 0.83 HDAC6 (0.33) HDAC3HPGDHDAC6HDAC1HDAC4

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
EP-2395078-A2 Covalent tethering of functional groups to proteins and substrates therefor Promega Corporation (US) 2011-12-14 — — EP disclosed
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