SCHEMBL2847839

SCHEMBL2847839

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)OCC)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.47
PPARA Q07869 3/20 0.40
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRB3 P13945 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
NFKB1 P19838 1/20 0.40
TACR2 P21452 1/20 0.40
SLC6A2 P23975 1/20 0.40
TBXAS1 P24557 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 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
SCHEMBL2854100 0.95 PPARG (0.46) PPARGPPARAMEN1GMNNEGFR
SCHEMBL2849454 0.95 PPARG (0.48) PPARGPPARAMEN1GMNNEGFR
SCHEMBL2855297 0.94 PPARG (0.45) PPARGPPARAMEN1GMNNEGFR
SCHEMBL2849756 0.93 PPARG (0.48) PPARG
SCHEMBL2852146 0.92 PPARG (0.51) PPARGPPARAMEN1GMNNEGFR
SCHEMBL2852151 0.92 PPARG (0.51) PPARGPPARAMEN1GMNNEGFR
SCHEMBL2854577 0.92 PPARG (0.45) PPARG
SCHEMBL2854583 0.92 PPARG (0.45) PPARG
SCHEMBL2853557 0.92 PPARG (0.45) PPARG
SCHEMBL2853563 0.92 PPARG (0.45) PPARG

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-1575911-B1 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2010-01-13 EP claimed
EP-1575911-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-21 EP disclosed
WO-2004046091-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-03 WO disclosed