SCHEMBL698150

SCHEMBL698150

Cc1[c]c(C)cc(C(O)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.42
NR1H3 Q13133 10/20 0.42
MLYCD O95822 1/20 0.41
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
PGR P06401 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
AR P10275 2/20 0.36

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
SCHEMBL698901 0.83
SCHEMBL8586265 0.77 NR1H2 (0.48) NR1H2NR1H3MLYCDMEN1ALOX15
SCHEMBL288176 0.76
SCHEMBL10215034 0.76 MLYCD (0.48) NR1H2NR1H3MLYCDMEN1ALOX15
SCHEMBL12376351 0.76 MLYCD (0.48) NR1H2NR1H3MLYCDMEN1ALOX15
SCHEMBL698163 0.76
SCHEMBL455828 0.75 RAPGEF4 (0.38) ALOX15TSHR
SCHEMBL289121 0.75 NR1H2 (0.33) NR1H2NR1H3RORCPGRSMN1; SMN2
SCHEMBL4419662 0.75 MEN1 (0.42) NR1H2NR1H3MLYCDMEN1ALOX15
SCHEMBL11126670 0.74 ESR1 (0.46) NR1H2NR1H3MLYCDMEN1ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423188-B1 Intermediates in the preparation of agricultural/horticultural insecticides and method for using the same MITSUI CHEMICALS AGRO INC (JP) 2021-03-10 EP disclosed
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 EP disclosed
EP-2423188-A1 Agricultural/Horticultural Insecticide and Method for Using the Same MITSUI CHEMICALS AGRO, INC. (JP) 2012-02-29 EP disclosed
EP-1661886-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-05-31 EP disclosed