SCHEMBL28748038

SCHEMBL28748038

CC(=O)OC(Cc1cccc(N)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.47
SLC7A5 Q01650 4/20 0.45
ACE P12821 1/20 0.44
PPARG P37231 8/20 0.43
PPARA Q07869 7/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43

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
SCHEMBL757308 0.85 SRR (0.53) SRRSLC7A5PPARGPPARA
SCHEMBL1094835 0.85 SRR (0.53) SRRSLC7A5PPARGPPARA
SCHEMBL15679980 0.85 SRR (0.53) SRRSLC7A5PPARGPPARA
SCHEMBL1094834 0.85 SRR (0.53) SRRSLC7A5PPARGPPARA
SCHEMBL1486323 0.82 SRR (0.62) SRRSLC7A5ACEPPARGPPARA
SCHEMBL1486321 0.82 SRR (0.62) SRRSLC7A5ACEPPARGPPARA
SCHEMBL2626716 0.82 SRR (0.62) SRRSLC7A5ACEPPARGPPARA
SCHEMBL7470063 0.82 SLC7A5 (0.46) SLC7A5
SCHEMBL756254 0.82 PPARG (0.57) PPARGPPARA
SCHEMBL10909366 0.81 PPARG (0.54) ACEPPARGPPARA

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
CN-1325385-A Gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2001-12-05 CN disclosed