SCHEMBL8892316

SCHEMBL8892316

NC(Cc1ccc(C(F)(F)F)cc1)C(O)CC(Cc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.49
PPARG P37231 4/20 0.49
EPHX2 P34913 1/20 0.49
GRB2 P62993 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
PTPN1 P18031 1/20 0.44
DPP4 P27487 1/20 0.42
CPA1 P15085 1/20 0.41
PPARD Q03181 3/20 0.41
TPH1 P17752 1/20 0.40
KIF11 P52732 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7436718 0.96 SLC1A3 (0.54) PPARAPPARGEPHX2GRB2SLC1A3
SCHEMBL7436710 0.96 SLC1A3 (0.54) PPARAPPARGEPHX2GRB2SLC1A3
SCHEMBL7434968 0.95 PPARA (0.46) PPARAPPARGEPHX2GRB2SLC1A3
SCHEMBL8894789 0.95 PPARA (0.46) PPARAPPARGEPHX2GRB2SLC1A3
SCHEMBL7434959 0.95 PPARA (0.46) PPARAPPARGEPHX2GRB2SLC1A3
SCHEMBL2266372 0.84 SLC1A3 (0.67) PPARAPPARGEPHX2GRB2SLC1A3
SCHEMBL12762359 0.84 SLC1A3 (0.67) PPARAPPARGEPHX2GRB2SLC1A3
SCHEMBL7434194 0.84 SLC1A3 (0.50) PPARAPPARGSLC1A3SLC1A2SLC1A1
SCHEMBL7434192 0.84 SLC1A3 (0.50) PPARAPPARGSLC1A3SLC1A2SLC1A1
SCHEMBL7441434 0.84 GRB2 (0.48) PPARAPPARGEPHX2GRB2PTPN1

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
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed