SCHEMBL9126001

SCHEMBL9126001

O=C(CCCCCCCNC(=O)c1ccccc1)N[C@@H]1[C@@H](OC(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC9 Q9UKV0 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ LGALS8 O00214 1/20 0.41
▸ SYNJ2 O15056 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL9125990 1.00 HDAC6 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9127097 0.90 CA1 (0.43) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9127088 0.90 CA1 (0.43) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9124840 0.89 TLR4 (0.46) LGALS8
SCHEMBL9124847 0.89 TLR4 (0.46) LGALS8
SCHEMBL9126778 0.89 TLR4 (0.46) LGALS8
SCHEMBL9127387 0.88 LGALS8 (0.46) LGALS8SYNJ2KDM4EABL1ALPL
SCHEMBL9124937 0.88 LGALS8 (0.46) LGALS8SYNJ2KDM4EABL1ALPL
SCHEMBL9129443 0.80 TLR4 (0.52) LGALS8
SCHEMBL9125890 0.80 TLR4 (0.52) LGALS8

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-5432267-A Inhibits tumor necrosis factor derivation by endotoxin DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 — — US disclosed
EP-0563908-A1 Amino sugar derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-10-06 — — EP disclosed
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