SCHEMBL6665865

SCHEMBL6665865

C=CCC[C@H]1CC[C@H](c2ccc(CCOC(F)(F)c3ccc([C@H]4CC[C@H](CCC=C)CC4)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.34
HTR2C P28335 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
MAOB P27338 1/20 0.30
CYP2C9 P11712 2/20 0.30
DGAT1 O75907 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 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
SCHEMBL6664155 0.98 ESR2 (0.33) ESR2HTR2CALDH1A1LMNAMAPT
SCHEMBL6667702 0.96 HTR2C (0.38) ESR2HTR2CMAOBDGAT1
SCHEMBL6662950 0.95 ESR2 (0.32) ESR2
SCHEMBL6664061 0.95 ESR2 (0.32) ESR2
SCHEMBL6665431 0.94 ALDH1A1 (0.33) ESR2ALDH1A1LMNAMAPTSPHK1
SCHEMBL6665638 0.94 ESR2 (0.33) ESR2ALDH1A1LMNAMAPTSPHK1
SCHEMBL6665113 0.94 ALDH1A1 (0.40) ALDH1A1LMNAMAPTSPHK1CYP2C9
SCHEMBL6661222 0.92 ALDH1A1 (0.30) ALDH1A1LMNAMAPT
SCHEMBL6664028 0.92 ALDH1A1 (0.30) ALDH1A1LMNAMAPT
SCHEMBL6663860 0.92 GRM2 (0.32)

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