SCHEMBL28545909

SCHEMBL28545909

FC(F)(F)Oc1ccccc1COc1[c]cccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SGMS1 Q86VZ5 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN1 Q05586 1/20 0.36
SLC6A3 Q01959 6/20 0.35
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 5/20 0.35
DRD2 P14416 4/20 0.35
CYP2D6 P10635 3/20 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
SCHEMBL3767200 0.80 IDO1 (0.51) SGMS2
SCHEMBL7024874 0.78 IDO1 (0.53) ALOX5APFEN1SGMS2SLC6A4
SCHEMBL5541550 0.77 OPRM1 (0.44) ALOX5APFEN1SGMS1SGMS2HDAC3
SCHEMBL2452025 0.76 MRGPRX4 (0.41) RXRARXRBRXRGGRIN2BSLC6A4
SCHEMBL2088385 0.76 RXRA (0.35) RXRARXRBRXRGSLC6A3SLC6A2
SCHEMBL3326060 0.76 IDO1 (0.48) SLC6A3SLC6A2SLC6A4
SCHEMBL80520 0.74 KIF11 (0.31)
SCHEMBL9061838 0.73 EPHX2 (0.46) ALOX5APFEN1SGMS1SGMS2HDAC3
SCHEMBL28555601 0.72 MAOB (0.45) ALOX5APFEN1SLC6A4CETP
SCHEMBL2721265 0.72 IDO1 (0.48)

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
CN-108329330-B 2-benzyloxy phenyl oxazolopyridine compound and pharmaceutical application thereof 复旦大学 2021-05-04 CN disclosed