SCHEMBL6661269

SCHEMBL6661269

CC=CCCC1CCC(c2ccc(COC(F)(F)Cc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
KDM1A O60341 2/20 0.33
RCOR1 Q9UKL0 1/20 0.33
ESR2 Q92731 2/20 0.33
GRM2 Q14416 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 1/20 0.32
HTR2C P28335 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
GCGR P47871 1/20 0.31
AR P10275 1/20 0.31
CHRM4 P08173 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6666599 0.92 ESR2 (0.38) ESR2ALDH1A1MEN1KMT2A
SCHEMBL6667625 0.88 CYP2C9 (0.41) ESR2ALDH1A1MEN1KMT2A
SCHEMBL6664944 0.88 ESR2 (0.35) ESR2ALDH1A1MEN1KMT2A
SCHEMBL6665828 0.88 ESR2 (0.35) ESR2ALDH1A1MEN1KMT2A
SCHEMBL6661322 0.88 ESR2 (0.38) ESR2ALDH1A1MEN1KMT2A
SCHEMBL6662069 0.87 FFAR4 (0.32) ESR2
SCHEMBL6663508 0.87 IDO1 (0.40) CARM1PRMT6ESR2GRM2ALDH1A1
SCHEMBL6661236 0.87 ESR2 (0.34) ESR2
SCHEMBL6664041 0.87 ESR2 (0.34) ESR2
SCHEMBL6663866 0.87 ESR2 (0.34) CARM1PRMT6KDM1ARCOR1ESR2

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed