SCHEMBL6663508

SCHEMBL6663508

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
HTR2C P28335 2/20 0.37
ESR2 Q92731 1/20 0.34
PRMT5 O14744 1/20 0.34
S1PR1 P21453 1/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
MAOB P27338 4/20 0.33
GRM2 Q14416 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
ALOX5 P09917 2/20 0.32
PTGES O14684 1/20 0.32
PPARG P37231 1/20 0.32
PSEN1 P49768 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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 0.94 ESR2 (0.38) ESR2ALDH1A1LMNAMAPT
SCHEMBL6665828 0.90 ESR2 (0.35) ESR2ALDH1A1LMNAMAPT
SCHEMBL6667625 0.90 CYP2C9 (0.41) ESR2ALDH1A1LMNAMAPT
SCHEMBL6664944 0.90 ESR2 (0.35) ESR2ALOX5ALDH1A1LMNAMAPT
SCHEMBL6661322 0.90 ESR2 (0.38) ESR2ALDH1A1LMNAMAPT
SCHEMBL6664041 0.89 ESR2 (0.34) ESR2
SCHEMBL6661236 0.89 ESR2 (0.34) ESR2
SCHEMBL6667970 0.88 ESR2 (0.33) ESR2
SCHEMBL6664963 0.88 ESR2 (0.33) ESR2
SCHEMBL6667550 0.87 SPHK1 (0.37) ESR2ALDH1A1LMNAMAPT

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