SCHEMBL6990743

SCHEMBL6990743

N[C@@H](CC(=O)O)C(=O)OCc1ccccc1.O=C(CC(NC(=O)C1CCCCC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.46
SLC15A1 P46059 2/20 0.45
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP1 P29466 4/20 0.41
TMPRSS15 P98073 1/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL5118218 0.91 LMNA (0.49) CASP3SLC15A1LMNATDP1L3MBTL1
SCHEMBL25491972 0.83 S1PR1 (0.49) SLC15A1LMNATDP1L3MBTL1CASP1
SCHEMBL5113817 0.82 MEN1 (0.48) CASP3LMNATDP1L3MBTL1EPHX1
SCHEMBL8682005 0.78 L3MBTL1 (0.58) LMNATDP1L3MBTL1TSHR
SCHEMBL30826538 0.78 TMPRSS15 (0.46) LMNATDP1CASP1TMPRSS15
Aspartic Acid SCHEMBL28852564 0.77 SLC15A1 (0.56) SLC15A1L3MBTL1CASP1
SCHEMBL18775045 0.75 PSMB5 (0.60) TSHR
SCHEMBL24832472 0.75 L3MBTL1 (0.53) LMNATDP1L3MBTL1EPHX1
SCHEMBL18791071 0.75 PSMB5 (0.60) TSHR
SCHEMBL27873595 0.75 LTA4H (0.54) SLC15A1TDP1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313716-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016331-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO disclosed