SCHEMBL7309475

SCHEMBL7309475

COC(=O)CS(=O)(=O)N(C)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.60
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TDP1 Q9NUW8 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NPY5R Q15761 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 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
SCHEMBL7302947 0.82 MMP3 (0.59) MMP3CA12CA9TDP1TAAR1
SCHEMBL6247964 0.80 ALDH1A1 (0.44) MMP3CA12CA9CA7CA14
SCHEMBL12133562 0.76 MMP3 (0.55) MMP3CA9TAAR1TSHRAOC3
SCHEMBL10176111 0.75 TSHR (0.43) CA12CA9CA7CA14LMNA
SCHEMBL7307806 0.75 MMP3 (0.54) MMP3ALOX5
SCHEMBL25477196 0.74 TAAR1 (0.55) MMP3TDP1TAAR1HDAC3HDAC4
SCHEMBL22345325 0.74 MEN1 (0.39) MMP3CA12CA9CA7CA14
SCHEMBL7082389 0.74 MMP3 (0.50) MMP3CA12CA9TDP1TAAR1
SCHEMBL13184564 0.72 TAAR1 (0.57) MMP3TAAR1TSHRAOC3
SCHEMBL22838351 0.72 CA12 (0.54) CA12CA9CA7CA14TDP1

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
EP-0931788-B1 Metalloprotease inhibitors PFIZER LTD (GB) 2002-11-06 EP disclosed
US-6090852-A MATRIX METALLOPROTEASE INHIBITOR PFIZER INC (US) 2000-07-18 US disclosed
EP-0931788-A2 Metalloprotease inhibitors Pfizer Limited (GB) 1999-07-28 EP disclosed