SCHEMBL7324044

SCHEMBL7324044

COC(=O)c1cc(C)c(N)c(C(=O)NO)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.48
MMP9 P14780 5/20 0.48
MMP2 P08253 3/20 0.48
MMP8 P22894 3/20 0.48
MMP12 P39900 3/20 0.48
MMP14 P50281 3/20 0.48
MMP16 P51512 3/20 0.48
RAPGEF4 Q8WZA2 1/20 0.46
MMP1 P03956 5/20 0.46
MMP3 P08254 2/20 0.46
ADAM17 P78536 1/20 0.44
LMNA P02545 5/20 0.42
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL7323004 0.89 RAPGEF4 (0.48) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7318226 0.78 MMP13 (0.53) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7318942 0.78 MMP13 (0.52) MMP13MMP9MMP1ADAM17
SCHEMBL7324193 0.75 RAPGEF4 (0.48) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7315622 0.74 MMP13 (0.46) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7314106 0.73 LMNA (0.43) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7311930 0.73 MMP13 (0.48) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7315318 0.73 MMP13 (0.52) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7317781 0.72 RAPGEF4 (0.47) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7319427 0.72 RAPGEF4 (0.44) MMP13MMP9MMP2MMP8MMP12

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