SCHEMBL7873397

SCHEMBL7873397

CCC[C@@H]([C@@H](Cc1ccc(C)s1)C(=O)O)N(O)C=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.45
MMP9 P14780 2/20 0.45
ADAM17 P78536 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
RIPK1 Q13546 1/20 0.34
BMP1 P13497 2/20 0.33
MMP12 P39900 2/20 0.33
TLL1 O43897 1/20 0.33
TLL2 Q9Y6L7 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL7874743 0.81 CYP2C19 (0.48) MMP3MMP9ADAM17TAS1R3TAS1R1
SCHEMBL7879214 0.78 SLC1A3 (0.49) BMP1MMP12TLL1TLL2
SCHEMBL7876984 0.76 SLC1A3 (0.43) TAS1R3TAS1R1
SCHEMBL7876948 0.76 SLC1A3 (0.40) RIPK1BMP1MMP12TLL1TLL2
SCHEMBL7879220 0.75 KMT2A (0.42) RIPK1BMP1MMP12TLL1TLL2
SCHEMBL7876864 0.71 CYP2C19 (0.40) ADAM17RIPK1BMP1MMP12TLL1
SCHEMBL7874813 0.71 PPARG (0.44) MMP9BMP1MMP12TLL1TLL2
SCHEMBL7876572 0.71 BMP1 (0.34) MMP3MMP9ADAM17BMP1MMP12
SCHEMBL7876857 0.71 NR4A2 (0.40) TAS1R3TAS1R1BMP1MMP12TLL1
SCHEMBL7384854 0.70 ADAM17 (0.36) MMP3MMP9ADAM17

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-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US claimed