SCHEMBL7876948

SCHEMBL7876948

CCC[C@@H]([C@@H](Cc1ccco1)C(=O)O)N(O)C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLL1 O43897 1/20 0.35
BMP1 P13497 1/20 0.35
MMP12 P39900 1/20 0.35
TLL2 Q9Y6L7 1/20 0.35
RIPK1 Q13546 1/20 0.34
POLB P06746 3/20 0.34
ATM Q13315 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL7868114 0.90 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7879214 0.81 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1TLL1BMP1
SCHEMBL7874743 0.78 CYP2C19 (0.48) SLC1A3SLC1A2SLC1A1ALDH1A1TLL1
SCHEMBL7876572 0.76 BMP1 (0.34) TLL1BMP1MMP12TLL2
SCHEMBL7873397 0.76 MMP3 (0.45) TLL1BMP1MMP12TLL2RIPK1
SCHEMBL7879220 0.75 KMT2A (0.42) SLC1A3SLC1A2SLC1A1KMT2AALDH1A1
SCHEMBL7874813 0.74 PPARG (0.44) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7876984 0.73 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1PTGS1PTGS2
SCHEMBL1532410 0.73 TDP1 (0.47) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7876857 0.73 NR4A2 (0.40) MEN1KMT2AMAPTTLL1BMP1

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