SCHEMBL7315622

SCHEMBL7315622

COc1ccc(S(=O)(=O)c2c(C(=O)NO)cc(C)c(N)c2CN2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.46
MMP9 P14780 15/20 0.46
MMP1 P03956 15/20 0.46
ADAM17 P78536 12/20 0.46
MMP2 P08253 3/20 0.45
MMP8 P22894 3/20 0.45
MMP12 P39900 3/20 0.45
MMP14 P50281 3/20 0.45
MMP16 P51512 3/20 0.45
MMP3 P08254 5/20 0.43
MMP7 P09237 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7325394 0.93 MMP13 (0.56) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7313302 0.83 MMP9 (0.53) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7317768 0.82 MMP9 (0.45) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7315190 0.81 MMP9 (0.46) MMP13MMP9MMP1ADAM17POLB
SCHEMBL7321295 0.79 MMP9 (0.49) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7316642 0.77 MMP9 (0.48) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7312681 0.77 KDM4E (0.44) MMP13MMP9MMP1ADAM17MMP3
SCHEMBL7324044 0.74 MMP13 (0.48) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7316400 0.74 MMP9 (0.54) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7315318 0.74 MMP13 (0.52) MMP13MMP9MMP1ADAM17MMP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed