SCHEMBL6536576

SCHEMBL6536576

COC(=O)C(Cc1ccc(OCCc2c[nH]c3ccccc23)cc1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.56
PPARA Q07869 2/20 0.56
KCNA5 P22460 3/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HCRTR1 O43613 1/20 0.52
MAPT P10636 6/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL6521251 0.90 MAPT (0.57) KCNA5MEN1KMT2AMAPTALDH1A1
SCHEMBL6519524 0.89 SLC6A2 (0.53) KCNA5MEN1KMT2AMAPTALDH1A1
SCHEMBL6516758 0.83 MAPT (0.57) KCNA5MEN1KMT2AMAPTALDH1A1
SCHEMBL6516295 0.82 MAPT (0.60) KCNA5MEN1KMT2AMAPTALDH1A1
SCHEMBL6385594 0.81 PPARG (0.65) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL6516526 0.81 GPR84 (0.61) KCNA5MEN1KMT2AMAPTALDH1A1
SCHEMBL6523875 0.80 KCNA5 (0.55) KCNA5MEN1KMT2AHCRTR1MAPT
SCHEMBL21585123 0.79 KCNA5 (0.55) KCNA5MEN1KMT2AMAPTALDH1A1
SCHEMBL6536575 0.77 PPARG (0.66) PPARGPPARDPPARAALDH1A1SMN1; SMN2
SCHEMBL6536161 0.77 PPARG (0.51) PPARGPPARDPPARAMAPTPOLB

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-1465858-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-10-13 EP disclosed
WO-2003059864-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-07-24 WO disclosed