SCHEMBL6664155

SCHEMBL6664155

C=CCCc1ccc(CCOC(F)(F)c2ccc([C@H]3CC[C@H](CCC=C)CC3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.33
CYP2C9 P11712 1/20 0.32
HTR2C P28335 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL6665865 0.98 ESR2 (0.34) ESR2CYP2C9HTR2CALDH1A1LMNA
SCHEMBL6667702 0.94 HTR2C (0.38) ESR2HTR2C
SCHEMBL6664061 0.93 ESR2 (0.32) ESR2
SCHEMBL6662950 0.93 ESR2 (0.32) ESR2
SCHEMBL6665431 0.92 ALDH1A1 (0.33) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6665113 0.92 ALDH1A1 (0.40) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6665638 0.92 ESR2 (0.33) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6661138 0.92 CYP2C9 (0.31) CYP2C9
SCHEMBL6666512 0.92
SCHEMBL6661222 0.90 ALDH1A1 (0.30) ALDH1A1LMNAMAPT

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