SCHEMBL7876934

SCHEMBL7876934

CCC[C@@H]([C@@H](CCCc1ncccn1)C(=O)O)N(O)C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 2/20 0.37
MMP12 P39900 2/20 0.37
TLL1 O43897 1/20 0.37
TLL2 Q9Y6L7 1/20 0.37
MMP7 P09237 1/20 0.36
ADAM17 P78536 8/20 0.36
MMP3 P08254 7/20 0.36
MMP9 P14780 7/20 0.36
MMP1 P03956 5/20 0.36
CYP3A4 P08684 1/20 0.35
MMP13 P45452 1/20 0.35
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL7387885 0.82 TLL1 (0.42) BMP1MMP12TLL1TLL2PTGES
SCHEMBL7868133 0.81 TDP1 (0.45)
SCHEMBL7868080 0.79 TLL1 (0.43) BMP1MMP12TLL1TLL2PTGES
SCHEMBL7876864 0.79 CYP2C19 (0.40) BMP1MMP12TLL1TLL2ADAM17
SCHEMBL7873420 0.75 BMP1 (0.39) BMP1MMP12TLL1TLL2ALOX5
SCHEMBL7876988 0.75 SLC1A3 (0.41) BMP1MMP12TLL1TLL2PTGES
SCHEMBL7876551 0.74 ALDH1A1 (0.38) BMP1MMP12TLL1TLL2HDAC1
SCHEMBL7879226 0.73 BMP1 (0.47) BMP1MMP12TLL1TLL2PTGES
SCHEMBL7879214 0.73 SLC1A3 (0.49) BMP1MMP12TLL1TLL2HDAC3
SCHEMBL7876860 0.72 BMP1 (0.40) BMP1MMP12TLL1TLL2ALOX5

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 disclosed