SCHEMBL9335656

SCHEMBL9335656

NCCCCCC(=O)Nc1cc(C(=O)NCCC(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.50
HDAC3 O15379 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2 P17301 1/20 0.47
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
PKM P14618 1/20 0.44
CASR P41180 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42

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
Formic Acid SCHEMBL9339472 0.96 HDAC1 (0.47) HDAC1HDAC3L3MBTL1ITGB3ITGA2
SCHEMBL9335626 0.88 HDAC1 (0.49) HDAC1HDAC3L3MBTL1ITGB3ITGA2
SCHEMBL9339477 0.86 HDAC1 (0.46) HDAC1HDAC3L3MBTL1ITGB3ITGA2
SCHEMBL9865729 0.83 CA1 (0.45) HDAC1HDAC3L3MBTL1ITGB3ITGA2
SCHEMBL9335902 0.79 MEN1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL9335870 0.79 MEN1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL9335865 0.79 MEN1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL27182229 0.78 PKM (0.64) HDAC1HDAC3L3MBTL1HDAC4HDAC7
SCHEMBL9335980 0.78 KMT2A (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL11632238 0.77 L3MBTL1 (0.66) L3MBTL1CASRMEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372486-B1 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines HOFFMANN LA ROCHE (CH) 1994-06-01 EP claimed
EP-0372486-B1 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines HOFFMANN LA ROCHE (CH) 1994-06-01 EP disclosed
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed