SCHEMBL6542974

SCHEMBL6542974

CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCNc2nc3ccccc3o2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.51
PPARG P37231 10/20 0.51
PPARD Q03181 5/20 0.51
HDAC6 Q9UBN7 1/20 0.40
P2RY14 Q15391 2/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
SLC2A1 P11166 1/20 0.39
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2436469 0.90 PPARG (0.63) PPARAPPARGPPARDHDAC6P2RY14
SCHEMBL6543351 0.84 PPARA (0.54) PPARAPPARGPPARDHDAC6P2RY14
SCHEMBL6544189 0.84 PPARG (0.47) PPARAPPARGPPARDHDAC6NPC1
SCHEMBL2441994 0.82 NPC1 (0.39) HDAC6NPC1TP53RAB9ASMN1; SMN2
SCHEMBL6542975 0.78 PPARA (0.58) PPARAPPARGPPARDHDAC6P2RY14
SCHEMBL6543207 0.78 PPARA (0.44) PPARAPPARGPPARDP2RY14SMN1; SMN2
SCHEMBL6544102 0.78 PPARA (0.44) PPARAPPARGPPARDP2RY14TP53
SCHEMBL6544252 0.76 PPARG (0.62) PPARAPPARGPPARDMTNR1AMTNR1B
SCHEMBL6542948 0.76 PPARG (0.47) PPARAPPARGPPARDMTNR1AMTNR1B
SCHEMBL2441085 0.76 PPARA (0.64) PPARAPPARGPPARD

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-1433786-A1 Benzoxazole compound and pharmaceutical composition containing the compound Kowa Company Ltd. (JP) 2004-06-30 EP disclosed