SCHEMBL4437789

SCHEMBL4437789

CC(C)(C)C(=O)Oc1ccc2c(c1)Oc1cc(OC(=O)C(C)(C)C)ccc1C21OCOc2cc(C(=O)NCCCCCC(=O)NCCOCCOCCCCCCCl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.40
▸ RAB9A P51151 6/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ TP53 P04637 1/20 0.34
▸ HDAC3 O15379 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ NSD3 Q9BZ95 1/20 0.33

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
SCHEMBL16153101 0.89 HDAC6 (0.33) HPGDRAB9ASMN1; SMN2HTTNPC1
SCHEMBL4403236 0.86 GSTP1 (0.45) HTTHDAC6GSTP1KMT2AMEN1
SCHEMBL4403233 0.86 GSTP1 (0.41) HTTHDAC6GSTP1KMT2AMEN1
SCHEMBL12671652 0.86 HDAC6 (0.33) HPGDRAB9ASMN1; SMN2NPC1HDAC3
SCHEMBL15976894 0.85 HDAC3 (0.33) HPGDSMN1; SMN2HDAC3HDAC1HDAC6
SCHEMBL16503905 0.84 LMNA (0.33) HPGDSMN1; SMN2HDAC3HDAC1HDAC6
SCHEMBL13193883 0.84 GSTP1 (0.43) HTTHDAC6GSTP1KMT2AMEN1
SCHEMBL12018901 0.84 HDAC6 (0.34) RAB9ASMN1; SMN2NPC1HDAC3HDAC1
SCHEMBL13881238 0.84 GSTP1 (0.46) HPGDHTTHDAC6GSTP1KMT2A
SCHEMBL14330482 0.83 HDAC3 (0.33) HPGDSMN1; SMN2HDAC3HDAC1HDAC6

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
US-8168405-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2012-05-01 — — US disclosed
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