SCHEMBL5509903

SCHEMBL5509903

Oc1cc(C(F)(F)F)c(O)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
BACE1 P56817 1/20 0.39
HSD17B3 P37058 1/20 0.38
CA1 P00915 2/20 0.36
MCL1 Q07820 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
APP P05067 1/20 0.36
CA2 P00918 2/20 0.36
ERN1 O75460 2/20 0.36
PTGS1 P23219 3/20 0.35
AR P10275 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR2 Q92731 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 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
SCHEMBL395557 0.80 KIF11 (0.39) KIF11BACE1HSD17B3CA1MCL1
SCHEMBL391593 0.80 CES2 (0.45) KIF11HSD17B3CA1MCL1CA2
SCHEMBL27255621 0.78 SMN1; SMN2 (0.61) CA1MCL1APPCA2ERN1
SCHEMBL5511595 0.78 GAA (0.50) KIF11HSD17B3CA1MCL1CA12
SCHEMBL17287119 0.76 SMN1; SMN2 (0.39) BACE1CA1CA12CA9CA2
SCHEMBL14421389 0.76 ALDH1A1 (0.38) KIF11MCL1ERN1ALDH1A1SMN1; SMN2
SCHEMBL28440862 0.75 BACE1 (0.49) KIF11BACE1ARALDH1A1POLB
SCHEMBL5508465 0.74 KIF11 (0.35) KIF11BACE1HSD17B3CA1MCL1
SCHEMBL16784212 0.74 ALDH1A1 (0.36) KIF11HSD17B3CA1MCL1CA2
SCHEMBL16334744 0.72 APP (0.35) KIF11BACE1HSD17B3APPPTGS1

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