SCHEMBL2434908

SCHEMBL2434908

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.50
PPARG P37231 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1B1 Q16678 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL4576126 0.95 PPARA (0.47) PPARAPPARGL3MBTL1TDP1RAB9A
SCHEMBL2439072 0.88 PPARG (0.62) PPARAPPARGL3MBTL1TDP1RAB9A
SCHEMBL6781034 0.82 PPARG (0.59) PPARAPPARGL3MBTL1TDP1RAB9A
SCHEMBL2440291 0.81 PPARA (0.59) PPARAPPARGNR1H2
SCHEMBL2438002 0.79 PPARA (0.58) PPARAPPARG
SCHEMBL8801774 0.78 NR1H2 (0.62) L3MBTL1TDP1RAB9AMAPTSMN1; SMN2
SCHEMBL6543060 0.77 PPARA (0.54) PPARAPPARG
SCHEMBL4840291 0.77 RAB9A (0.50) L3MBTL1TDP1RAB9AMAPTSMN1; SMN2
SCHEMBL30941023 0.76 MAOB (0.43) L3MBTL1TDP1RAB9AMAPTSMN1; SMN2
SCHEMBL4842190 0.76 RAB9A (0.52) L3MBTL1TDP1RAB9AMAPTSMN1; 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 2 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