SCHEMBL8955338

SCHEMBL8955338

C=CC1OCC(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 15/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
PDE4B Q07343 1/20 0.31
BTK Q06187 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
SCHEMBL8955358 0.95 CNR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8955359 0.94 FPR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8955373 0.94 FPR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8955398 0.94 FPR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8955455 0.94 FPR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8955426 0.94 FPR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8955349 0.93 FPR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8957511 0.91 FPR2 (0.39) FPR2GABRA1GABRB2HTR2CHTR2B
SCHEMBL8955919 0.90 FPR2 (0.36) FPR2GABRA1GABRB2HTR2CHTR2B
SCHEMBL8955508 0.89 HTR2C (0.35) HTR2CHTR2BHTR2A

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed