SCHEMBL6661327

SCHEMBL6661327

C/C=C/CCC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
AOC3 Q16853 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL6661300 0.90 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL6667727 0.89
SCHEMBL6661207 0.88 ALDH1A1 (0.36) AOC3CYP11B1CYP11B2
SCHEMBL6661268 0.86 PDE2A (0.33)
SCHEMBL6666649 0.86 HSD11B1 (0.36)
SCHEMBL6666597 0.86 ALDH1A1 (0.32)
SCHEMBL6667099 0.86 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL6667527 0.85 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL6666423 0.85 PDE2A (0.35)
SCHEMBL6666390 0.84 TACR1 (0.33)

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