SCHEMBL6544189

SCHEMBL6544189

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCNc2nc3ccccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.47
PPARA Q07869 6/20 0.47
PPARD Q03181 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ELANE P08246 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
CSNK1D P48730 1/20 0.40
ADRB3 P13945 3/20 0.39
PCSK9 Q8NBP7 1/20 0.39
AURKB Q96GD4 1/20 0.38

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
SCHEMBL1010861 0.89 PPARA (0.58) PPARGPPARAPPARDHDAC6ALDH1A1
SCHEMBL6542974 0.84 PPARA (0.51) PPARGPPARAPPARDHDAC6SMN1; SMN2
SCHEMBL6542948 0.82 PPARG (0.47) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL2441994 0.80 NPC1 (0.39) HDAC6ELANESMN1; SMN2NPC1RAB9A
SCHEMBL6543351 0.79 PPARA (0.54) PPARGPPARAPPARDHDAC6ALDH1A1
SCHEMBL6542946 0.76 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL2440537 0.76 PPARG (0.45) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL1980682 0.75 BCHE (0.58) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL30583378 0.74 ELANE (0.67) HDAC6ALDH1A1ELANEMAPTSMN1; SMN2
SCHEMBL5021495 0.74 ELANE (0.67) HDAC6ALDH1A1ELANEMAPTSMN1; 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 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