SCHEMBL6663473

SCHEMBL6663473

CC1CCC(c2ccc(COC(F)(F)Cc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
KDM1A O60341 2/20 0.37
RCOR1 Q9UKL0 1/20 0.37
EPHX2 P34913 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GRM2 Q14416 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 1/20 0.35
AR P10275 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL6663436 0.91 ESR2 (0.49) ESR2CARM1PRMT6CACNA1GCACNA1H
SCHEMBL6667653 0.89 KDM1A (0.39) ESR2CARM1PRMT6KDM1ARCOR1
SCHEMBL6665374 0.86 KDM1A (0.37) ESR2CARM1PRMT6KDM1ARCOR1
SCHEMBL6665035 0.85 SPHK1 (0.38) ESR2CARM1PRMT6KDM1ARCOR1
SCHEMBL6665442 0.85 CARM1 (0.36) CARM1PRMT6KDM1ARCOR1EPHX2
SCHEMBL6667957 0.85 ESR2 (0.43) ESR2ALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL6664879 0.84 CARM1 (0.35) CARM1PRMT6KDM1ARCOR1EPHX2
SCHEMBL9061651 0.84 ESR2 (0.44) ESR2KDM1ARCOR1EPHX2ALDH1A1
SCHEMBL9061646 0.84 ESR2 (0.44) ESR2KDM1ARCOR1EPHX2ALDH1A1
SCHEMBL6666573 0.84 SPHK1 (0.40) CARM1PRMT6KDM1ARCOR1TSHR

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