SCHEMBL7429534

SCHEMBL7429534

COC(O)CNC(=O)C1(S(=O)(=O)c2ccc(N3CCC(C(=O)NCCCc4ccccc4)CC3)cc2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.46
MMP2 P08253 8/20 0.46
MMP9 P14780 4/20 0.46
MMP1 P03956 2/20 0.46
MMP3 P08254 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ADAM17 P78536 1/20 0.41
CHRM4 P08173 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.40
FKBP1A P62942 2/20 0.40
GAA P10253 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
SCHEMBL7430791 0.91 MMP2 (0.48) MMP13MMP2MMP9MMP1MMP3
SCHEMBL7429528 0.82 MMP2 (0.47) MMP13MMP2MMP9MMP1MMP3
SCHEMBL6621337 0.79 MMP13 (0.54) MMP13MMP2MMP3
SCHEMBL7427210 0.79 MMP3 (0.48) MMP13MMP2MMP9MMP1MMP3
SCHEMBL6683801 0.78 MMP13 (0.75) MMP13MMP2MMP9MMP1MMP3
SCHEMBL7424416 0.78 MMP1 (0.48) MMP13MMP2MMP9MMP1MMP3
Hydrochloric Acid SCHEMBL5717426 0.73 S1PR1 (0.41) MAPT
SCHEMBL7430787 0.73 MMP2 (0.49) MMP13MMP2MMP9MMP1MMP3
SCHEMBL7426797 0.68 MMP2 (0.57) MMP13MMP2MMP9MMP1MMP3
SCHEMBL6690406 0.68 MMP13 (0.80) MMP13MMP2MMP9MMP1MMP3

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