SCHEMBL6662820

SCHEMBL6662820

CC=CC1CCC(c2ccc(COC(F)(F)Cc3ccc(C4CCC(C)CC4)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.39
HDAC2 Q92769 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
SCHEMBL6665073 0.95 HDAC2 (0.34) ESR2HDAC2
SCHEMBL6667112 0.92 ESR2 (0.37) ESR2HDAC2
SCHEMBL6667110 0.92 ESR2 (0.37) ESR2HDAC2
SCHEMBL6667108 0.92 ESR2 (0.37) ESR2HDAC2
SCHEMBL6664370 0.89 HTR2C (0.39)
SCHEMBL6663940 0.89 HDAC2 (0.31) ESR2HDAC2
SCHEMBL6666354 0.89 ESR2 (0.33) ESR2HDAC2
SCHEMBL6666588 0.89 HDAC2 (0.31) ESR2HDAC2
SCHEMBL6663436 0.89 ESR2 (0.49) ESR2
SCHEMBL6666302 0.88 CYP2C9 (0.41) ESR2HDAC2

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