SCHEMBL5515481

SCHEMBL5515481

Oc1ccc(C(F)(F)F)c(O)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
CES2 O00748 1/20 0.32
PIM1 P11309 1/20 0.32
TMPRSS4 Q9NRS4 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
NQO2 P16083 1/20 0.31
ERN1 O75460 1/20 0.30
PIK3CA P42336 1/20 0.30
AR P10275 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
SCHEMBL30368138 0.85 KIF11 (0.38) KIF11CES2ERN1AR
SCHEMBL7298664 0.85 KIF11 (0.38) KIF11CES2ERN1AR
SCHEMBL4542512 0.83 KIF11 (0.36) KIF11HSD17B1HSD17B2CES2TMPRSS4
SCHEMBL30368280 0.83 KIF11 (0.36) KIF11HSD17B1HSD17B2CES2TMPRSS4
SCHEMBL27846971 0.82 PIM1 (0.36) KIF11PIM1NQO2PIK3CA
SCHEMBL5519963 0.81 KIF11 (0.35) KIF11HSD17B1HSD17B2CES2PIM1
SCHEMBL5146822 0.79 NQO2 (0.37) KIF11HSD17B1HSD17B2CES2PIM1
SCHEMBL5513387 0.79 KIF11 (0.43) KIF11CES2AR
SCHEMBL5515872 0.77 GLA (0.34) KIF11HSD17B1HSD17B2CES2TMPRSS4
SCHEMBL10451588 0.77 GLA (0.34) KIF11CES2

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
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed