SCHEMBL9853137

SCHEMBL9853137

Nc1cc(O)ccc1C(c1ccc(O)cc1N)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.45
ESR1 P03372 2/20 0.45
CA14 Q9ULX7 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
KIF11 P52732 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
ALOX15 P16050 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
NR1I2 O75469 1/20 0.33
CYP2C9 P11712 1/20 0.33
MIF P14174 1/20 0.33
TYR P14679 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL5513401 0.83 KIF11 (0.47) CA14CA12CA1CA2CA7
SCHEMBL28443534 0.77 CA12 (0.38) ESR2ESR1CA14CA12CA1
SCHEMBL29752043 0.75 SMN1; SMN2 (0.52) CA1KIF11SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1554737 0.75 SMN1; SMN2 (0.52) CA1KIF11SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9575224 0.74 ALDH1A1 (0.56) ESR2ESR1CA14CA12CA1
SCHEMBL2965024 0.74 ALDH1A1 (0.56) ESR2ESR1CA14CA12CA1
SCHEMBL8908337 0.74 CA14 (0.46) ESR2ESR1CA14CA12CA1
SCHEMBL10933172 0.74 CA14 (0.52) ESR2ESR1CA14CA12CA1
SCHEMBL29396798 0.70 FFAR4 (0.53) CA14CA12CA1CA2CA7
SCHEMBL282399 0.70 FFAR4 (0.53) CA14CA12CA1CA2CA7

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
EP-0459395-A2 Positive photo-sensitive resin composition SUMITOMO BAKELITE COMPANY LIMITED (JP) 1991-12-04 EP claimed