SCHEMBL3922290

SCHEMBL3922290

N#CN(c1ccc(CCC(=O)O)cc1)C1CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.48
FFAR4 Q5NUL3 3/20 0.48
KEAP1 Q14145 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL2356277 0.92 SMN1; SMN2 (0.51) FFAR1FFAR4GMNNALDH1A1LMNA
SCHEMBL3927904 0.85 ENPP2 (0.45) FFAR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL3885825 0.83 CYP2D6 (0.39) FFAR1L3MBTL1GMNNALDH1A1LMNA
SCHEMBL11150979 0.75 FFAR1 (0.51) FFAR1FFAR4KEAP1L3MBTL1GMNN
SCHEMBL69746 0.70 FFAR1 (0.81) FFAR1FFAR4KEAP1L3MBTL1LMNA
SCHEMBL14732640 0.69 FFAR1 (0.67) FFAR1FFAR4KEAP1L3MBTL1GMNN
SCHEMBL14312086 0.68 SRD5A2 (0.54) FFAR1FFAR4KEAP1ALDH1A1HRH3
Hydrochloric Acid SCHEMBL25264643 0.68 FFAR1 (0.77) FFAR1FFAR4KEAP1L3MBTL1LMNA
SCHEMBL472281 0.68 FFAR1 (0.59) FFAR1FFAR4KEAP1L3MBTL1ALDH1A1
SCHEMBL1337387 0.68 FFAR1 (0.69) FFAR1FFAR4KEAP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893196-A4 DIARYLHYDANTOIN COMPOUNDS UNIV CALIFORNIA (US) 2009-03-18 EP disclosed
EP-1893196-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-05 EP disclosed
WO-2006124118-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-23 WO disclosed