SCHEMBL2441994

SCHEMBL2441994

CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCCNc1nc2ccccc2o1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ELANE P08246 5/20 0.39
PCSK9 Q8NBP7 2/20 0.38
ALOX12 P18054 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 4/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2441903 0.89 PPARG (0.43) NPC1RAB9ATP53SMN1; SMN2ELANE
SCHEMBL1010511 0.83 HDAC6 (0.43) NPC1RAB9ATP53SMN1; SMN2ELANE
SCHEMBL6542974 0.82 PPARA (0.51) NPC1RAB9ATP53SMN1; SMN2HDAC6
SCHEMBL6544189 0.80 PPARG (0.47) NPC1RAB9ATP53SMN1; SMN2ELANE
SCHEMBL2441990 0.78 PTPN1 (0.35) NPC1RAB9ASMN1; SMN2ELANE
SCHEMBL2472594 0.77 PPARG (0.60) TP53ELANENPSR1HSD17B10
SCHEMBL6543921 0.74 MTNR1A (0.43) NPC1RAB9ATP53HSD17B10
SCHEMBL1980682 0.74 BCHE (0.58) NPC1RAB9ATP53SMN1; SMN2PCSK9
SCHEMBL2438493 0.73 TAAR1 (0.40) NPSR1HSD17B10
SCHEMBL6543415 0.72 PPARG (0.42) NPC1RAB9ATP53HSD17B10

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