SCHEMBL8469663

SCHEMBL8469663

CCCCc1cc(-c2nc(CCOc3ccc(C=O)cc3)co2)cc(CCCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 2/20 0.35
APP P05067 1/20 0.35
FFAR1 O14842 2/20 0.35
ERN1 O75460 1/20 0.34

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
SCHEMBL8468791 0.86 PPARG (0.45) PPARGPPARAALDH1A1LMNASMN1; SMN2
SCHEMBL6958646 0.82 PPARG (0.42) PPARGPPARAALDH1A1LMNAMAPT
SCHEMBL8524260 0.80 MAPT (0.46) PPARAALDH1A1LMNAMAPTHPGD
SCHEMBL6966942 0.79 PPARG (0.38) PPARGPPARAALDH1A1LMNAMAPT
SCHEMBL4747685 0.78 FFAR1 (0.52) PPARGPPARAALDH1A1LMNASMN1; SMN2
SCHEMBL6956424 0.75 PPARG (0.40) PPARGPPARAALDH1A1LMNAMAPT
SCHEMBL8468559 0.73 LMNA (0.36) LMNA
SCHEMBL4744208 0.73 PPARG (0.59) PPARGPPARAHRH3FFAR1
SCHEMBL6966158 0.72 PPARA (0.41) PPARGPPARAFFAR1
SCHEMBL6964328 0.72 FFAR1 (0.41) PPARGPPARAALDH1A1MAPTHPGD

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
WO-1999009980-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed