SCHEMBL11020355

SCHEMBL11020355

O=C(O)C(CCCCCCOc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.56
PPARA Q07869 3/20 0.56
HRH3 Q9Y5N1 12/20 0.52
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL11019407 1.00 PPARG (0.56) PPARGPPARAHRH3MAPTL3MBTL1
Butane SCHEMBL11296686 0.94 MAPT (0.52) PPARGPPARAHRH3MAPTL3MBTL1
SCHEMBL7433512 0.87 TDP1 (0.62) PPARGPPARAHRH3MAPTL3MBTL1
SCHEMBL7434198 0.87 TDP1 (0.62) PPARGPPARAHRH3MAPTL3MBTL1
SCHEMBL14097351 0.85 NR5A1 (0.56) MAPTL3MBTL1MEN1KMT2ACRHBP
SCHEMBL5508343 0.84 TDP1 (0.61) PPARGPPARAMAPTL3MBTL1CRHBP
SCHEMBL4756791 0.84 TDP1 (0.61) PPARGPPARAMAPTL3MBTL1CRHBP
SCHEMBL5883644 0.83 MEN1 (0.69) HRH3MAPTL3MBTL1MEN1KMT2A
SCHEMBL7437760 0.83 MEN1 (0.69) HRH3MAPTL3MBTL1MEN1KMT2A
SCHEMBL11294732 0.83 MAPT (0.46) PPARGPPARAHRH3MAPTL3MBTL1

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
EP-0046590-B1 PHEN(ALK)OXY-SUBSTITUTED OXIRANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-05-22 EP disclosed