SCHEMBL7426797

SCHEMBL7426797

NC(=O)C1(S(=O)(=O)c2ccc(N3CCC(C(=O)Nc4ccccc4)CC3)cc2)CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.57
MMP13 P45452 7/20 0.57
MMP9 P14780 3/20 0.57
MMP1 P03956 1/20 0.57
MMP3 P08254 1/20 0.57
MMP8 P22894 1/20 0.57
MMP14 P50281 1/20 0.57
ME3 Q16798 1/20 0.55
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.43
FAAH O00519 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7434762 0.86 MMP2 (0.55) MMP2MMP13MMP9MMP1MMP3
SCHEMBL6686560 0.77 MMP13 (0.77) MMP2MMP13MMP9MMP1MMP3
SCHEMBL6685968 0.77 MMP13 (0.73) MMP2MMP13MMP9MMP1MMP3
Hydrochloric Acid SCHEMBL6687154 0.72 MMP13 (0.98) MMP2MMP13MMP9MMP1MMP3
SCHEMBL5919633 0.72 MMP13 (0.77) MMP2MMP13MMP9MMP3MMP8
SCHEMBL7430791 0.70 MMP2 (0.48) MMP2MMP13MMP9MMP1MMP3
SCHEMBL533096 0.70 ALDH1A1 (0.62) ME3MAPTSMN1; SMN2LMNAHSD17B10
SCHEMBL7430787 0.70 MMP2 (0.49) MMP2MMP13MMP9MMP1MMP3
SCHEMBL4141969 0.68 HPGD (0.69) ME3MAPTSMN1; SMN2LMNA
Acetic Acid SCHEMBL7374818 0.68 ALDH1A1 (0.55) ME3MAPTMALT1

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-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed