SCHEMBL7689527

SCHEMBL7689527

COc1ccc(S(=O)(=O)CCCC(=O)NO)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.83
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
HDAC1 Q13547 6/20 0.58
HDAC8 Q9BY41 5/20 0.58
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
BMP1 P13497 2/20 0.57
GRK2 P25098 1/20 0.56

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
SCHEMBL5602773 0.91 MMP1 (1.00) MMP1MEN1KMT2AHTTNPSR1
SCHEMBL20544598 0.85 HTT (0.65) MMP1MEN1KMT2AHTTNPSR1
SCHEMBL7077677 0.83 HTT (0.82) MMP1MEN1KMT2AHTTNPSR1
SCHEMBL7077637 0.83 HTT (0.67) MMP1MEN1KMT2AHTTNPSR1
SCHEMBL7996970 0.81 HDAC1 (0.65) MMP1MEN1KMT2AHDAC1HDAC8
SCHEMBL8412100 0.81 MMP1 (0.64) MMP1MEN1KMT2AHTTNPSR1
SCHEMBL22570455 0.78 ALDH1A1 (0.65) KMT2AHDAC1HDAC8HDAC3HDAC4
SCHEMBL6383948 0.78 HTT (0.64) MMP1MEN1KMT2AHTTNPSR1
SCHEMBL7082733 0.78 MMP13 (0.70) MMP1MEN1KMT2AHTTNPSR1
SCHEMBL29016749 0.77 HDAC1 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7

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
US-6476027-B1 N-hydroxy 4-sulfonyl butanamide compounds MONSANTO COMPANY 2002-11-05 US disclosed