SCHEMBL6663866

SCHEMBL6663866

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
GRM2 Q14416 1/20 0.33
TEAD1 P28347 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 1/20 0.32
KDM1A O60341 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
AR P10275 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
EPHX2 P34913 1/20 0.32
GPR39 O43194 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A4 P31645 1/20 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
SCHEMBL6665871 0.92 ESR2 (0.39) ESR2ALDH1A1
SCHEMBL6664879 0.89 CARM1 (0.35) CARM1PRMT6GRM2TEAD1L3MBTL1
SCHEMBL6664069 0.87 ESR2 (0.36) ESR2
SCHEMBL6662962 0.87 ESR2 (0.36) ESR2
SCHEMBL6664161 0.87 ESR2 (0.36) ESR2
SCHEMBL6661269 0.87 CARM1 (0.35) ESR2CARM1PRMT6GRM2L3MBTL1
SCHEMBL6664352 0.86 ESR2 (0.31) ESR2
SCHEMBL6667706 0.86 HTR2C (0.39) ESR2CARM1PRMT6GRM2
SCHEMBL6666534 0.86 CARM1 (0.36) CARM1PRMT6TEAD1SCN9AKDM1A
SCHEMBL6666526 0.86 CARM1 (0.36) CARM1PRMT6TEAD1SCN9AKDM1A

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