SCHEMBL4742673

SCHEMBL4742673

CCc1cnc(C(CC(=O)O)c2ccc(O)cc2)n1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.38
KEAP1 Q14145 2/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3549820 0.77 FFAR1 (0.51) FFAR1KEAP1
SCHEMBL14286031 0.74 FFAR1 (0.56) FFAR1
SCHEMBL3549582 0.74 FFAR1 (0.56) FFAR1
Propionic Acid SCHEMBL11105024 0.71 ESR1 (0.47) FFAR1ESR1ESR2LMNA
SCHEMBL3548497 0.71 FFAR1 (0.50) FFAR1KEAP1
SCHEMBL2285716 0.71 CA2 (0.48) FFAR1ESR1ESR2LMNA
SCHEMBL3556026 0.70 FFAR1 (0.47) FFAR1KEAP1ESR1ESR2
SCHEMBL3553967 0.70 FFAR1 (0.47) FFAR1KEAP1ESR1ESR2LMNA
Acetic Acid SCHEMBL11105301 0.69 ESR1 (0.47) FFAR1ESR1ESR2LMNA
SCHEMBL3658988 0.66 CNR1 (0.51) FFAR1ESR1ESR2LMNA

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-1893582-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-03-05 EP disclosed
WO-2006127503-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE IN TREATING METABOLIC DISORDERS AMGEN INC (US) 2006-11-30 WO disclosed