SCHEMBL5616444

SCHEMBL5616444

CCCCCCC[C@H]1C(=O)C=C[C@@H]1OCCCCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 1.00
PPARA Q07869 10/20 1.00
PPARD Q03181 9/20 1.00
TRPA1 O75762 2/20 0.56
NR4A2 P43354 2/20 0.56
GPR84 Q9NQS5 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
PDE4A P27815 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5612837 1.00 PPARG (1.00) PPARGPPARAPPARDTRPA1NR4A2
SCHEMBL11800847 0.80 PPARG (0.67) PPARGPPARAPPARDTRPA1NR4A2
SCHEMBL15287190 0.80 PPARG (0.67) PPARGPPARAPPARDTRPA1NR4A2
SCHEMBL17451520 0.80 PPARG (0.67) PPARGPPARAPPARDTRPA1NR4A2
SCHEMBL11866044 0.76 PPARG (0.61) PPARGPPARAPPARDTRPA1NR4A2
SCHEMBL11866056 0.76 PPARG (0.61) PPARGPPARAPPARDTRPA1NR4A2
SCHEMBL10713033 0.76 PPARG (0.61) PPARGPPARAPPARDTRPA1NR4A2
SCHEMBL10714235 0.76 PPARG (0.61) PPARGPPARAPPARDTRPA1NR4A2
SCHEMBL5612592 0.76 PPARG (1.00) PPARGPPARAPPARDTRPA1NR4A2
SCHEMBL5612598 0.76 PPARG (1.00) PPARGPPARAPPARDTRPA1NR4A2

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-2007029121-A2 NOVEL CYCLOPENT-2-EN-1-ONE DERIVATIVES WHICH ARE PPAR RECEPTOR MODULATORS, AND USE THEREOF IN PHARMACEUTICAL OR COSMETIC COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-03-15 WO claimed