SCHEMBL7428732

SCHEMBL7428732

CC(C)(C)OC(=O)NCc1ccc2c(c1)C(CC(=O)O)CO2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 11/20 0.44
PPARG P37231 8/20 0.44
PPARD Q03181 8/20 0.44
HDAC1 Q13547 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NAMPT P43490 1/20 0.40
PPARA Q07869 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7440588 0.87 SMN1; SMN2 (0.43) SMN1; SMN2HDAC1ALDH1A1HTTNAMPT
SCHEMBL10444059 0.84 ACE (0.49)
SCHEMBL10444057 0.84 ACE (0.49)
SCHEMBL10444056 0.83 KLK5 (0.49) ALDH1A1L3MBTL1
SCHEMBL7425049 0.78 HDAC1 (0.40) HDAC1NAMPTL3MBTL1
SCHEMBL7435753 0.76 HDAC1 (0.40) HDAC1NAMPTL3MBTL1
SCHEMBL30932891 0.76 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1HTT
SCHEMBL13594013 0.74 SMN1; SMN2 (0.42) SMN1; SMN2HDAC1NAMPTL3MBTL1
SCHEMBL19423686 0.73 SMN1; SMN2 (0.44) SMN1; SMN2HDAC1ALDH1A1HTTNAMPT
SCHEMBL7428737 0.73 FFAR1 (0.44) FFAR1PPARGPPARDPPARA

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
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed