SCHEMBL7314660

SCHEMBL7314660

CCCCC#Cc1c(N)c(C)c(Cc2ccccc2)c(C(=O)O)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.37
MMP1 P03956 8/20 0.37
MMP3 P08254 8/20 0.37
MMP13 P45452 7/20 0.37
MMP8 P22894 6/20 0.37
MMP12 P39900 6/20 0.37
MMP14 P50281 6/20 0.37
MMP16 P51512 6/20 0.37
MMP9 P14780 6/20 0.37
ADAM17 P78536 1/20 0.37
TP53 P04637 2/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
MCL1 Q07820 1/20 0.35
CTRC Q99895 1/20 0.35
PTGES O14684 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.34

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
SCHEMBL7317836 0.93 PLA2G2A (0.39) MMP2MMP1MMP3MMP13MMP8
SCHEMBL7324134 0.92 MMP1 (0.40) MMP2MMP1MMP3MMP13MMP8
SCHEMBL7317682 0.85 MMP2 (0.41) MMP2MMP1MMP3MMP13MMP8
SCHEMBL7322659 0.82 MMP2 (0.47) MMP2MMP1MMP3MMP13MMP8
SCHEMBL7312473 0.82 MCL1 (0.44) MMP2MMP1MMP3MMP13MMP8
SCHEMBL7322414 0.81 TP53 (0.45) MMP2MMP1MMP3MMP13MMP8
SCHEMBL7322755 0.81 MMP2 (0.40) MMP2MMP1MMP3MMP13MMP8
SCHEMBL7325396 0.80 MMP2 (0.41) MMP2MMP1MMP3MMP13MMP8
SCHEMBL7318675 0.80 MMP2 (0.45) MMP2MMP1MMP3MMP13MMP8
SCHEMBL7324951 0.79 CTRC (0.43) MMP2MMP1MMP13MMP14MMP9

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