SCHEMBL8970429

SCHEMBL8970429

C=CCOc1ccc(-c2ccc(-c3ccc(C#CC4COC(CCCCC)OC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL8970345 0.89 ALDH1A1 (0.31)
SCHEMBL13000847 0.85 HTR2C (0.32) HTR2CHTR2B
SCHEMBL8958329 0.83 HTR2C (0.32) HTR2CHTR2B
SCHEMBL8957869 0.83 HTR2C (0.32) HTR2CHTR2B
SCHEMBL8957787 0.83 HTR2C (0.32) HTR2CHTR2B
SCHEMBL8970346 0.82 PTPN11 (0.32)
SCHEMBL8957572 0.81 HTR2C (0.33) HTR2CHTR2B
SCHEMBL8953523 0.80 HTR2C (0.32) HTR2CHTR2B
SCHEMBL8954966 0.80 HTR2C (0.32) HTR2CHTR2B
SCHEMBL8953584 0.80 PDE4A (0.32) HTR2CHTR2B

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