SCHEMBL9335756

SCHEMBL9335756

N=C(N)NCCCC(=O)Nc1cccc(C(=O)NCCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
GAA P10253 1/20 0.54
EPHX2 P34913 1/20 0.53
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
PARP1 P09874 1/20 0.49
PARP10 Q53GL7 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
AURKA O14965 1/20 0.48
PAX8 Q06710 1/20 0.47
LMNA P02545 1/20 0.46
F2 P00734 1/20 0.46
HDAC1 Q13547 2/20 0.46
POLB P06746 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL9335499 0.97 MEN1 (0.56) KMT2AMEN1GAAEPHX2ITGB3
SCHEMBL9336010 0.96 ITGB3 (0.56) KMT2AMEN1GAAEPHX2ITGB3
SCHEMBL9335754 0.96 ITGB3 (0.56) KMT2AMEN1GAAEPHX2ITGB3
SCHEMBL9339373 0.96 ITGB3 (0.56) KMT2AMEN1GAAEPHX2ITGB3
SCHEMBL9335860 0.94 GAA (0.60) KMT2AMEN1GAAEPHX2ITGB3
SCHEMBL9337540 0.88 GAA (0.53) KMT2AMEN1GAAEPHX2ITGB3
SCHEMBL9335970 0.86 GAA (0.58) KMT2AMEN1GAAEPHX2ITGB3
SCHEMBL9335980 0.85 KMT2A (0.58) KMT2AMEN1GAAEPHX2PARP1
Formic Acid SCHEMBL9337546 0.84 GAA (0.49) KMT2AMEN1GAAEPHX2ITGB3
SCHEMBL9335793 0.84 GAA (0.62) KMT2AMEN1GAAEPHX2ITGB3

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 5 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-A2 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1990-06-13 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
EP-0372486-A2 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1990-06-13 EP disclosed