SCHEMBL6667702

SCHEMBL6667702

C=CCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
MAOB P27338 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
ESR2 Q92731 1/20 0.32
IDO1 P14902 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
LSS P48449 2/20 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
SCHEMBL6665865 0.96 ESR2 (0.34) HTR2CMAOBESR2DGAT1
SCHEMBL6664155 0.94 ESR2 (0.33) HTR2CESR2
SCHEMBL6662950 0.92 ESR2 (0.32) ESR2
SCHEMBL6664061 0.92 ESR2 (0.32) ESR2
SCHEMBL6665431 0.91 ALDH1A1 (0.33) ESR2
SCHEMBL6665638 0.91 ESR2 (0.33) ESR2
SCHEMBL6665113 0.91 ALDH1A1 (0.40)
SCHEMBL6664028 0.89 ALDH1A1 (0.30)
SCHEMBL6663860 0.89 GRM2 (0.32)
SCHEMBL6661222 0.89 ALDH1A1 (0.30)

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