SCHEMBL2439072

SCHEMBL2439072

CC(C)(Oc1cccc(CCCN2C(=O)c3ccccc3C2=O)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.62
PPARA Q07869 8/20 0.62
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARD Q03181 3/20 0.46
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
CASP3 P42574 1/20 0.44
CYP1B1 Q16678 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL6781034 0.94 PPARG (0.59) PPARGPPARATDP1L3MBTL1MAPT
SCHEMBL2434908 0.88 PPARA (0.50) PPARGPPARATDP1L3MBTL1MAPT
SCHEMBL4576126 0.82 PPARA (0.47) PPARGPPARATDP1L3MBTL1MAPT
SCHEMBL8801774 0.80 NR1H2 (0.62) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL2434760 0.79 PPARG (0.76) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL2202629 0.78 RAB9A (0.65) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL2206329 0.78 GRM5 (0.61) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL2439451 0.78 PPARA (0.74) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL4569072 0.77 RAB9A (0.53) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL2204230 0.77 RAB9A (0.63) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2

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
EP-1433786-B1 Benzoxazole compound and pharmaceutical composition containing the compound KOWA CO (JP) 2011-09-21 EP disclosed
EP-1433786-A1 Benzoxazole compound and pharmaceutical composition containing the compound Kowa Company Ltd. (JP) 2004-06-30 EP disclosed
US-6653334-B1 Electively activate peroxisome proliferator activated receptors KOWA CO., LTD. (JP) 2003-11-25 US disclosed