SCHEMBL7424880

SCHEMBL7424880

CC(C(CCCN1C(=O)N(C)C(C)(C)C1=O)C(=O)O)S(=O)(=O)NCCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
PLA2G7 Q13093 1/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
EPHX2 P34913 5/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
ACE P12821 1/20 0.33
GGT1 P19440 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6952001 0.92 MMP13 (0.44) POLBMMP2MMP3MMP9MMP13
SCHEMBL6948795 0.82 KMT2A (0.40) POLBMMP2MMP3MMP9MMP13
SCHEMBL6948796 0.80 PLA2G7 (0.39) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6948808 0.70 MMP3 (0.38) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6952255 0.69 MMP2 (0.41) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6952757 0.68 MMP3 (0.48) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL7222067 0.66 PLA2G7 (0.36) POLBMMP2MMP3MMP9MMP13
SCHEMBL6948807 0.65 MMP3 (0.49) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6952582 0.65 MMP2 (0.38) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL7028144 0.65 MMP2 (0.44) MMP2MMP3MMP9MMP13PLA2G7

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
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US claimed
EP-1030836-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-08-30 EP disclosed
WO-1999024399-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1999-05-20 WO disclosed