SCHEMBL8252712

SCHEMBL8252712

O=C(CCCCCCC(=O)N1CCc2c([nH]c3ccccc23)C1N[C@H](C(=O)OC1CCCC1)c1ccccc1)NO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.51
▸ HDAC6 Q9UBN7 3/20 0.51
▸ LMNA P02545 11/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TP53 P04637 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ ADRA2A P08913 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL12831416 0.89 HDAC1 (0.58) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL1491499 0.88 HDAC1 (0.48) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL1491400 0.88 HDAC1 (0.48) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL1491403 0.88 HDAC1 (0.48) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL1491496 0.88 HDAC1 (0.48) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL1493521 0.79 HDAC1 (0.47) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL1493520 0.79 HDAC1 (0.47) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL1493519 0.79 HDAC1 (0.47) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL1491340 0.79 TP53 (0.46) HDAC1LMNATP53MAPTABCG2
SCHEMBL1491342 0.79 TP53 (0.46) HDAC1LMNATP53MAPTABCG2

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-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — WO disclosed
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