SCHEMBL7321972

SCHEMBL7321972

COC(=O)c1cc(S(=O)(=O)c2ccc(OC)cc2)c(N)c(O)c1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.47
MMP2 P08253 12/20 0.47
MMP12 P39900 12/20 0.47
MMP9 P14780 12/20 0.47
MMP8 P22894 11/20 0.47
MMP14 P50281 11/20 0.47
MMP16 P51512 11/20 0.47
MMP3 P08254 8/20 0.47
MMP1 P03956 6/20 0.47
ADAM17 P78536 1/20 0.47
CNR1 P21554 2/20 0.47
KDM4E B2RXH2 2/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL7319116 0.89 MMP2 (0.47) MMP13MMP2MMP12MMP9MMP8
SCHEMBL7323198 0.86 MMP2 (0.44) MMP13MMP2MMP12MMP9MMP8
SCHEMBL7317559 0.86 CNR1 (0.46) MMP13MMP2MMP12MMP9MMP8
SCHEMBL7321236 0.86 MMP13 (0.44) MMP13MMP2MMP12MMP9MMP8
SCHEMBL7324229 0.85 MMP2 (0.44) MMP13MMP2MMP12MMP9MMP8
SCHEMBL7324647 0.84 CNR1 (0.41) MMP13MMP2MMP12MMP9MMP8
SCHEMBL7317236 0.83 CNR1 (0.42) MMP13MMP2MMP12MMP9MMP8
SCHEMBL7315941 0.83 CNR1 (0.42) MMP13MMP2MMP12MMP9MMP8
SCHEMBL7321087 0.82 HPGD (0.43) MMP13MMP2MMP12MMP9MMP8
SCHEMBL7321550 0.82 CNR1 (0.41) MMP13MMP2MMP12MMP9MMP8

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