SCHEMBL2918902

SCHEMBL2918902

CC(CC(=O)O)c1ccc(OCCOc2cccc(C(C)(C)C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.52
PPARG P37231 2/20 0.52
PPARD Q03181 2/20 0.52
FFAR4 Q5NUL3 1/20 0.47
SOD1 P00441 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ESR1 P03372 1/20 0.42
MAPK1 P28482 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
SCHEMBL2925885 0.96 FFAR1 (0.53) FFAR1PPARGPPARDFFAR4SOD1
SCHEMBL10078103 0.96 FFAR1 (0.50) FFAR1PPARGPPARDFFAR4SOD1
SCHEMBL10078219 0.91 FFAR1 (0.50) FFAR1PPARGPPARDFFAR4SOD1
SCHEMBL2920491 0.89 KDM4E (0.54) FFAR1PPARGFFAR4L3MBTL1ALDH1A1
SCHEMBL10077725 0.89 FFAR1 (0.45) FFAR1PPARGPPARDFFAR4SOD1
SCHEMBL10077233 0.88 FFAR1 (0.47) FFAR1PPARGPPARDFFAR4SOD1
SCHEMBL2897998 0.88 FFAR1 (0.47) FFAR1PPARGPPARDFFAR4SOD1
SCHEMBL2886658 0.87 SMN1; SMN2 (0.56) FFAR1FFAR4L3MBTL1POLBALDH1A1
SCHEMBL2968632 0.87 FFAR1 (0.44) FFAR1PPARGPPARDFFAR4SOD1
SCHEMBL2935044 0.86 FFAR1 (0.47) FFAR1PPARGPPARDSOD1L3MBTL1

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-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed