SCHEMBL2439261

SCHEMBL2439261

CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MTNR1A P48039 2/20 0.38
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FBP1 P09467 1/20 0.34
MTNR1B P49286 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
DHFR P00374 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL2439441 0.85 KDM4E (0.50) NPSR1MTNR1AKDM4EALDH1A1HSD17B10
SCHEMBL2438493 0.84 TAAR1 (0.40) NPSR1MTNR1AADRB2ADRB1KDM4E
SCHEMBL12895268 0.77 GRIN2B (0.46) MTNR1A
SCHEMBL25299494 0.75 PPARA (0.49) NR1H2NR1H3ALDH1A1
SCHEMBL2437293 0.75 TAAR1 (0.59) MTNR1AMTNR1BTAAR1
SCHEMBL31689751 0.75 TAAR1 (0.59) MTNR1AMTNR1BTAAR1
SCHEMBL4685285 0.73 L3MBTL1 (0.54) NPSR1MTNR1AKDM4EALDH1A1THRB
SCHEMBL2441990 0.71 PTPN1 (0.35) ALDH1A1
SCHEMBL28892660 0.71 ALDH1A1 (0.48) KDM4EALDH1A1
SCHEMBL1470891 0.71 IRAK4 (0.54) NPSR1MTNR1AADRB2ADRB1KDM4E

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