SCHEMBL7108738

SCHEMBL7108738

Nc1ccc(NC(=O)CCCC(=O)O)cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.54
▸ HDAC6 Q9UBN7 9/20 0.54
▸ HDAC3 O15379 8/20 0.54
▸ HDAC4 P56524 7/20 0.54
▸ HDAC7 Q8WUI4 7/20 0.54
▸ HDAC2 Q92769 7/20 0.54
▸ HDAC10 Q969S8 7/20 0.54
▸ HDAC11 Q96DB2 7/20 0.54
▸ HDAC8 Q9BY41 7/20 0.54
▸ HDAC9 Q9UKV0 7/20 0.54
▸ HDAC5 Q9UQL6 7/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL7105419 0.85 KMT2A (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7108870 0.81 PPARG (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16817792 0.80 ALDH1A1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7111208 0.79 ALDH1A1 (0.63) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7106419 0.79 KMT2A (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7106421 0.78 ALDH1A1 (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7106301 0.78 ALDH1A1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL21665206 0.76 MEN1 (0.84) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7111223 0.76 SOAT1 (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3806017 0.76 MEN1 (0.73) HDAC1HDAC6HDAC3HDAC4HDAC7

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-1348700-A2 Composition and method for dyeing dye-susceptible material Wella Aktiengesellschaft (DE) 2003-10-01 — — EP disclosed
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