SCHEMBL7314007

SCHEMBL7314007

COC(=O)c1c(C)c(C#Cc2ccc(-c3ccccc3)cc2)c(N)c(C)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.43
MMP13 P45452 11/20 0.43
MMP3 P08254 10/20 0.43
MMP9 P14780 9/20 0.43
MMP1 P03956 7/20 0.43
MMP8 P22894 6/20 0.43
MMP12 P39900 6/20 0.42
MMP14 P50281 5/20 0.42
MMP16 P51512 5/20 0.42
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SLC16A3 O15427 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRM6 O15303 1/20 0.39
GRM5 P41594 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
SCHEMBL7320215 0.92 MMP2 (0.45) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7321501 0.91 MMP3 (0.50) MMP2MMP13MMP3MMP9MMP1
Biphenyl SCHEMBL7313998 0.82 TP53 (0.42) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7317781 0.78 RAPGEF4 (0.47) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7324791 0.77 MMP1 (0.39) MMP2MMP13MMP3MMP9MMP1
Biphenyl SCHEMBL7320212 0.75 MMP2 (0.45) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7319427 0.75 RAPGEF4 (0.44) MMP2MMP13MMP3MMP9MMP1
Biphenyl SCHEMBL7321499 0.74 MMP9 (0.50) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7324085 0.74 HTT (0.43) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7317410 0.73 ALDH1A1 (0.47) MMP2MMP13MMP3MMP9MMP1

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