SCHEMBL7429063

SCHEMBL7429063

COC(=O)CN(Cc1ccc2c(c1)C(CC(=O)O)CO2)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.39
PPARG P37231 8/20 0.39
PPARD Q03181 8/20 0.39
PPARA Q07869 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7428732 0.77 SMN1; SMN2 (0.44) FFAR1PPARGPPARDPPARAHDAC1
SCHEMBL3556105 0.73 ALDH1A1 (0.53) PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL12894958 0.71 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2
SCHEMBL2892096 0.71 HDAC3 (0.45) HDAC3HDAC1HDAC2NCOR2
SCHEMBL7299608 0.71 HDAC3 (0.45) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL27532350 0.71 HDAC3 (0.45) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL10443342 0.70 FFAR1 (0.44) FFAR1PPARGPPARDPPARA
SCHEMBL18586000 0.70 HDAC1 (0.45) HDAC3HDAC1HDAC2NCOR2
SCHEMBL7430593 0.69 HDAC3 (0.36) PPARGPPARAHDAC3HDAC1HDAC2
SCHEMBL28580843 0.69 MIF (0.49) FFAR1PPARGPPARD

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