SCHEMBL3631508

SCHEMBL3631508

FC(F)(F)c1cc(OBOc2cc(C(F)(F)F)nn2C2CCCCO2)n(C2CCCCO2)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
ATR Q13535 1/20 0.33
TGFBR1 P36897 3/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
NR3C2 P08235 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 2/20 0.31
RET P07949 1/20 0.31
PLAT P00750 1/20 0.30

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
SCHEMBL29223502 0.82 CYP4F2 (0.35) CYP4F2CYP4A11ATRTGFBR1RXRA
SCHEMBL8932232 0.79 CYP4F2 (0.44) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL22604901 0.79 GAA (0.42) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL14726472 0.79 CYP4F2 (0.42) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL18758369 0.79 CYP4F2 (0.37) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL22824028 0.75 MEN1 (0.37) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL3039870 0.75 CYP4F2 (0.37) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL3623334 0.75 RXRA (0.40) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL8932285 0.74 TGFBR1 (0.34) CYP4F2CYP4A11ATRTGFBR1
SCHEMBL19879315 0.72 PTGS2 (0.43) CYP4F2CYP4A11ATRNR3C2ALDH1A1

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-2210880-B1 Benzoxazinone derivatives MSD KK (JP) 2015-08-26 EP disclosed
EP-2210880-A1 BENZOXAZINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-07-28 EP disclosed