SCHEMBL7434762

SCHEMBL7434762

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.55
MMP13 P45452 10/20 0.55
MMP9 P14780 3/20 0.55
MMP1 P03956 1/20 0.55
MMP3 P08254 1/20 0.55
MMP8 P22894 1/20 0.55
MMP14 P50281 1/20 0.55
ME3 Q16798 1/20 0.50
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MCHR1 Q99705 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7426797 0.86 MMP2 (0.57) MMP2MMP13MMP9MMP1MMP3
SCHEMBL6685968 0.76 MMP13 (0.73) MMP2MMP13MMP9MMP1MMP3
SCHEMBL7427208 0.75 MMP3 (0.50) MMP2MMP13MMP9MMP1MMP3
SCHEMBL7430787 0.74 MMP2 (0.49) MMP2MMP13MMP9MMP1MMP3
SCHEMBL7424411 0.74 MMP2 (0.49) MMP2MMP13MMP9MMP1MMP3
SCHEMBL6686560 0.73 MMP13 (0.77) MMP2MMP13MMP9MMP1MMP3
SCHEMBL7395557 0.73 MMP13 (0.41) MMP2MMP13MMP9MMP1MMP3
SCHEMBL7429528 0.72 MMP2 (0.47) MMP2MMP13MMP9MMP1MMP3
Hydrochloric Acid SCHEMBL6687154 0.70 MMP13 (0.98) MMP2MMP13MMP9MMP1MMP3
SCHEMBL7430791 0.68 MMP2 (0.48) MMP2MMP13MMP9MMP1MMP3

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