SCHEMBL9335659

SCHEMBL9335659

N=C(NC(=O)OCc1ccccc1)c1ccc(C(=O)NCc2ccc(C(=O)NCCC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC3 O15379 2/20 0.48
TPSAB1 Q15661 1/20 0.47
MASP2 O00187 2/20 0.47
HPGD P15428 2/20 0.46
NAMPT P43490 1/20 0.46
HDAC6 Q9UBN7 3/20 0.45
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PPARG P37231 2/20 0.45
EPHX2 P34913 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL9339505 0.92 PPARG (0.47) HDAC2HPGDHDAC6PRSS1CTSG
SCHEMBL7306359 0.90 PRSS1 (0.46) HDAC1HDAC2HDAC3HPGDHDAC6
SCHEMBL7305313 0.88 HDAC6 (0.49) HDAC1HDAC2HDAC3HDAC6PRSS1
SCHEMBL7331153 0.87 HDAC6 (0.53) HDAC1HDAC2HDAC3HDAC6PRSS1
SCHEMBL7302006 0.84 SYK (0.46) HPGDPRSS1CTSGCTRB1CMA1
SCHEMBL9864590 0.84 PAX8 (0.52) NAMPTLMNA
SCHEMBL7299446 0.84 HRH4 (0.43) TPSAB1MASP2HPGDPRSS1CTSG
SCHEMBL9222240 0.83 ACE (0.47) HDAC1HDAC2HDAC3MASP2HPGD
SCHEMBL7300795 0.83 HRH4 (0.43) MASP2HPGDPRSS1CTSGCTRB1
SCHEMBL23452597 0.83 MASP2 (0.54) HDAC1HDAC2HDAC3MASP2NAMPT

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
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