SCHEMBL6952255

SCHEMBL6952255

CN1C(=O)N(CCCC(CS(=O)(=O)NCCC(c2ccccc2)c2ccccc2)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
PLA2G7 Q13093 1/20 0.38
LMNA P02545 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
CASR P41180 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6948807 0.92 MMP3 (0.49) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6948795 0.87 KMT2A (0.40) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6948525 0.86 PLA2G7 (0.54) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6947014 0.79 MMP2 (0.49) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL7424874 0.79 ALDH1A1 (0.41) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6948972 0.79 PLA2G7 (0.52) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL7077621 0.78 MMP2 (0.40) MMP2MMP3MMP9MMP13SMN1; SMN2
SCHEMBL6954462 0.78 MMP3 (0.56) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6952582 0.77 MMP2 (0.38) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6948808 0.74 MMP3 (0.38) 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-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP disclosed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US disclosed