SCHEMBL7874835

SCHEMBL7874835

C[C@@H]([C@@H](CCCc1ccc(Oc2ccccc2)cc1)C(=O)O)N(O)C=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
PPARG P37231 4/20 0.42
FDFT1 P37268 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
NPY5R Q15761 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
SRD5A2 P31213 2/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 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
SCHEMBL4290877 0.89 GRIK1 (0.43)
SCHEMBL7879161 0.89 GRIK1 (0.43)
SCHEMBL7953565 0.87 FDFT1 (0.43) FFAR1FDFT1MMP12MMP13MMP2
SCHEMBL7873373 0.85 LTB4R (0.44)
SCHEMBL7876532 0.84 LTB4R (0.46)
SCHEMBL7946312 0.84 DPP4 (0.38) FFAR1PPARGFDFT1PPARAPLAAT3
SCHEMBL7431816 0.83 PPARA (0.47) PPARGPPARA
SCHEMBL7876539 0.81 SMN1; SMN2 (0.46)
SCHEMBL7879203 0.81 LMNA (0.41)
SCHEMBL7879149 0.80 FDFT1 (0.41) FFAR1PPARGFDFT1MMP2PPARA

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