SCHEMBL7868080

SCHEMBL7868080

CCC[C@@H]([C@@H](CCCCc1ccccc1)C(=O)O)N(O)C=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLL1 O43897 1/20 0.43
BMP1 P13497 1/20 0.43
MMP12 P39900 1/20 0.43
TLL2 Q9Y6L7 1/20 0.43
ALOX5 P09917 3/20 0.42
PTGES O14684 1/20 0.40
PPARG P37231 1/20 0.40
LTB4R Q15722 3/20 0.40
CTSK P43235 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
TRPA1 O75762 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
SCHEMBL7387885 0.96 TLL1 (0.42) TLL1BMP1MMP12TLL2ALOX5
SCHEMBL7879226 0.87 BMP1 (0.47) TLL1BMP1MMP12TLL2ALOX5
SCHEMBL7876860 0.85 BMP1 (0.40) TLL1BMP1MMP12TLL2ALOX5
SCHEMBL7879214 0.84 SLC1A3 (0.49) TLL1BMP1MMP12TLL2CTSK
SCHEMBL7868133 0.84 TDP1 (0.45)
SCHEMBL7873373 0.83 LTB4R (0.44) ALOX5LTB4RTRPA1
SCHEMBL7876532 0.82 LTB4R (0.46) ALOX5LTB4RTRPA1
SCHEMBL7902677 0.81 GRIK1 (0.39) TLL1BMP1MMP12TLL2ALOX5
SCHEMBL7902679 0.81 GRIK1 (0.39) TLL1BMP1MMP12TLL2ALOX5
SCHEMBL7876988 0.81 SLC1A3 (0.41) TLL1BMP1MMP12TLL2ALOX5

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