SCHEMBL5502236

SCHEMBL5502236

CC(C)c1ccc(-c2c(Oc3ccc(C(F)(F)F)cc3)ccc3[nH]c(CC(=O)O)c(C(=O)O)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.38
THRB P10828 2/20 0.35
PPARD Q03181 4/20 0.35
PPARA Q07869 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
PPARG P37231 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
SCHEMBL5505765 0.90 PTGDR2 (0.44) FFAR1THRBPPARDPTGDR2
SCHEMBL5507776 0.89 RXRA (0.42) FFAR1THRBPPARDPPARAPPARG
SCHEMBL5504469 0.88 PPARD (0.41) FFAR1THRBPPARDPPARAPTGDR2
SCHEMBL5507821 0.88 ACACB (0.39) FFAR1FNTAFNTB
SCHEMBL5503574 0.84 MEN1 (0.39) FFAR1THRBPPARD
SCHEMBL5267628 0.82 PPARD (0.39) FFAR1PPARDPPARA
SCHEMBL5501032 0.82 THRA (0.40) THRBPPARDPPARAPPARG
SCHEMBL5502096 0.81 BRD4 (0.39) PPARD
SCHEMBL5266845 0.79 FFAR4 (0.34) FFAR1PPARD
Water SCHEMBL5270309 0.79 FFAR4 (0.34) FFAR1PPARDPTGDR2

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-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed