SCHEMBL4738549

SCHEMBL4738549

CCC(Oc1ccc(CCC(OCc2ccccc2)c2ccc(C(F)(F)F)cc2)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.40
PPARA Q07869 10/20 0.40
FFAR1 O14842 3/20 0.39
PPARD Q03181 4/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SLC6A9 P48067 3/20 0.36

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
SCHEMBL4739030 0.92 PPARG (0.39) PPARGPPARAFFAR1PPARDPTGDR2
SCHEMBL4740249 0.92 PPARG (0.39) PPARGPPARAFFAR1PPARDPTGDR2
SCHEMBL14146304 0.91 PPARG (0.36) PPARGPPARAFFAR1PPARDPSEN1
SCHEMBL4741103 0.90 PPARG (0.42) PPARGPPARAFFAR1PPARDPTGDR2
SCHEMBL4739883 0.90 PTGDR2 (0.38) PPARGPPARAFFAR1PPARDPTGDR2
SCHEMBL4737403 0.83 PTGDR2 (0.42) PPARGPPARAPPARDPTGDR2
SCHEMBL14146648 0.83 FFAR1 (0.35) PPARGPPARAFFAR1PPARDSLC6A9
SCHEMBL14146308 0.83 FFAR1 (0.35) PPARGPPARAFFAR1PPARDSLC6A9
SCHEMBL14146302 0.81 UTS2R (0.32) PPARGPPARAFFAR1PPARD
SCHEMBL4736807 0.77 PTGDR2 (0.43) PPARGPPARAPPARDPTGDR2

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
WO-2008087365-A2 SUBSTITUTED 1, 3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO claimed
WO-2008087365-A2 SUBSTITUTED 1, 3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed
WO-2008087365-A2 SUBSTITUTED 1, 3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed