SCHEMBL5990409

SCHEMBL5990409

COC(=O)Cc1cccc(SCCC(C)O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
TSHR P16473 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
HSP90AB1 P08238 1/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5990405 1.00 SLC7A5 (0.47) SLC7A5PPARGPPARAGAAALDH1A1
SCHEMBL5989924 0.83 SLC7A5 (0.42) SLC7A5PPARGPPARAGAAALDH1A1
SCHEMBL5989919 0.83 SLC7A5 (0.42) SLC7A5PPARGPPARAGAAALDH1A1
SCHEMBL8060935 0.80 SLC7A5 (0.50) SLC7A5PPARGPPARAGAAALDH1A1
SCHEMBL6586355 0.78 SLC7A5 (0.54) SLC7A5PPARGPPARAGAAALDH1A1
SCHEMBL23012852 0.78 PPARG (0.55) SLC7A5PPARGPPARAGAAALDH1A1
SCHEMBL29691478 0.78 PPARG (0.55) SLC7A5PPARGPPARAGAAALDH1A1
SCHEMBL3976506 0.77 MAPK1 (0.49) SLC7A5GAAALDH1A1TSHRMAPK1
SCHEMBL3976500 0.77 MAPK1 (0.49) SLC7A5GAAALDH1A1TSHRMAPK1
SCHEMBL3985639 0.77 MAPK1 (0.49) SLC7A5GAAALDH1A1TSHRMAPK1

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
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed