SCHEMBL6977358

SCHEMBL6977358

O=C(O)CCC1=CC=C(CCCN2C(=O)c3ccccc3C2=O)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
LMNA P02545 2/20 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
Hydrochloric Acid SCHEMBL6971490 0.77 ALDH1A1 (0.40) KMT2AMEN1HPGDALDH1A1HDAC8
SCHEMBL877279 0.75 KMT2A (0.73) KMT2AMEN1ACHETDP1L3MBTL1
SCHEMBL29459522 0.75 KMT2A (0.73) KMT2AMEN1ACHETDP1L3MBTL1
SCHEMBL1795851 0.74 HDAC8 (0.67) KMT2AMEN1TDP1L3MBTL1HPGD
Hydrochloric Acid SCHEMBL9878928 0.74 KMT2A (0.71) KMT2AMEN1ACHETDP1L3MBTL1
SCHEMBL9899475 0.72 HDAC8 (0.69) KMT2AMEN1TDP1L3MBTL1HPGD
SCHEMBL4202491 0.72 HDAC8 (0.69) KMT2AMEN1TDP1L3MBTL1HPGD
SCHEMBL3468927 0.72 HDAC8 (0.69) KMT2AMEN1TDP1L3MBTL1HPGD
SCHEMBL607631 0.72 HDAC8 (0.69) KMT2AMEN1TDP1L3MBTL1HPGD
SCHEMBL9130049 0.72 HDAC8 (0.69) KMT2AMEN1TDP1L3MBTL1HPGD

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-1208092-A4 SULFONAMIDE DERIVATIVE AS A MATRIX METALLOPROTEINASE INHIBITOR SAMSUNG ELECTRONICS CO LTD (KR) 2003-01-02 EP disclosed
EP-1208092-A1 SULFONAMIDE DERIVATIVE AS A MATRIX METALLOPROTEINASE INHIBITOR SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-05-29 EP disclosed
WO-2001077092-A1 SULFONAMIDE DERIVATIVE AS A MATRIX METALLOPROTEINASE INHIBITOR SAMSUNG ELECTRONICS CO., LTD. (KR) 2001-10-18 WO disclosed