SCHEMBL5520140

SCHEMBL5520140

Nc1cc(O)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 3/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
CHKA P35790 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL5515632 0.82 NQO2 (0.31) MEN1KMT2A
SCHEMBL5513417 0.76 EP300 (0.38) HSD17B10ALDH1A1ALOX15HPGDALOX12
SCHEMBL28577673 0.75 CA12 (0.36) HSD17B10ALDH1A1ALOX15HPGDALOX12
SCHEMBL27082422 0.73 CA2 (0.41) HSD17B10ALDH1A1ALOX15CA2CA12
SCHEMBL21490258 0.73 KDM4E (0.35) ALDH1A1ALOX15SMN1; SMN2KDM4EMAPT
SCHEMBL5507098 0.73 GLA (0.34) ALDH1A1ALOX15SMN1; SMN2CA2CA12
SCHEMBL5515894 0.73 CA12 (0.37) CA2CA12CA1CA4CA6
SCHEMBL7714362 0.73 CA12 (0.33) ALDH1A1CA2CA12CA1CA4
SCHEMBL24254787 0.70 ALDH1A1 (0.37) HSD17B10ALDH1A1ALOX15MAPK1CA2
SCHEMBL5517782 0.68 GAA (0.34) ALDH1A1ALOX15SMN1; SMN2CA2CA12

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