SCHEMBL2238586

SCHEMBL2238586

CCCCCCCC/C=C\CCCCCCC(CC)(Oc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.52
PPARG P37231 2/20 0.52
SOAT2 O75908 1/20 0.46
SOAT1 P35610 1/20 0.46
EPHX2 P34913 5/20 0.44
FAAH O00519 5/20 0.44
CES1 P23141 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 2/20 0.41
DUSP3 P51452 1/20 0.41
PTPN7 P35236 1/20 0.41
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.41
FABP3 P05413 1/20 0.41
CYP3A4 P08684 1/20 0.41
F7 P08709 1/20 0.41
CYP19A1 P11511 1/20 0.41
F3 P13726 1/20 0.41

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
SCHEMBL28212657 0.91 GAA (0.44) PPARAPPARGPPARDTDP1
SCHEMBL28148535 0.86 PPARG (0.48) PPARAPPARGFAAHCES1ALDH1A1
SCHEMBL11767154 0.85 PPARG (0.47) PPARAPPARGFAAHCES1ALDH1A1
Ammonia Solution, Strong SCHEMBL28523622 0.85 PPARG (0.47) PPARAPPARGFAAHCES1ALDH1A1
SCHEMBL17055396 0.84 PPARA (0.54) PPARAPPARGSOAT2SOAT1EPHX2
SCHEMBL17055397 0.84 PPARA (0.54) PPARAPPARGSOAT2SOAT1EPHX2
SCHEMBL15902943 0.84 PPARG (0.46) PPARAPPARGFAAHCES1ALDH1A1
Bromide SCHEMBL9816176 0.83 PPARA (0.53) PPARAPPARGSOAT2SOAT1EPHX2
Bromide SCHEMBL9816169 0.83 PPARA (0.53) PPARAPPARGSOAT2SOAT1EPHX2
SCHEMBL11446527 0.81 TERT (0.50) PPARAPPARGFAAHALDH1A1DUSP3

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-2011101274-A1 STABILIZER SYSTEM FOR FOAMING POLYMERS CONTAINING HALOGEN IKA INNOVATIVE KUNSTSTOFFAUFBEREITUNG GMBH & CO. KG (DE) 2011-08-25 WO disclosed