SCHEMBL7315941

SCHEMBL7315941

COC(=O)c1cc(S(=O)(=O)c2ccc(OC)cc2)c(N)c(O[Si](C)(C)C(C)(C)C)c1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
MMP2 P08253 12/20 0.42
MMP12 P39900 12/20 0.42
MMP9 P14780 12/20 0.42
MMP13 P45452 11/20 0.42
MMP8 P22894 10/20 0.42
MMP14 P50281 10/20 0.42
MMP16 P51512 10/20 0.42
MMP3 P08254 7/20 0.42
MMP1 P03956 6/20 0.42
ADAM17 P78536 1/20 0.42
PLA2G2A P14555 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7317559 0.85 CNR1 (0.46) CNR1MMP2MMP12MMP9MMP13
SCHEMBL7323198 0.85 MMP2 (0.44) CNR1MMP2MMP12MMP9MMP13
SCHEMBL7324229 0.85 MMP2 (0.44) CNR1MMP2MMP12MMP9MMP13
SCHEMBL7317236 0.84 CNR1 (0.42) CNR1MMP2MMP12MMP9MMP13
SCHEMBL7321972 0.83 MMP13 (0.47) CNR1MMP2MMP12MMP9MMP13
SCHEMBL7324647 0.83 CNR1 (0.41) CNR1MMP2MMP12MMP9MMP13
SCHEMBL7319116 0.82 MMP2 (0.47) CNR1MMP2MMP12MMP9MMP13
SCHEMBL7321087 0.82 HPGD (0.43) CNR1MMP2MMP12MMP9MMP13
SCHEMBL7317813 0.81 MMP2 (0.49) CNR1MMP2MMP12MMP9MMP13
SCHEMBL7321550 0.81 CNR1 (0.41) CNR1MMP2MMP12MMP9MMP13

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