SCHEMBL12718236

SCHEMBL12718236

CCCC(O)c1ccc(-c2ccc(-c3ccc(/C=C/c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ FAAH O00519 3/20 0.33
▸ TUBB1 Q9H4B7 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ LTB4R Q15722 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HRH1 P35367 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
SCHEMBL12821132 0.92 FAAH (0.40) KMT2AMEN1FAAHTUBB1KDM4E
SCHEMBL10302927 0.91 TUBB1 (0.35) KMT2AFAAHTUBB1KDM4EGAA
SCHEMBL12821290 0.89 — —
SCHEMBL12821247 0.89 APP (0.30) KMT2AKDM4EGAA
SCHEMBL12823676 0.89 — —
SCHEMBL12718250 0.89 APP (0.30) KMT2AKDM4EGAA
SCHEMBL12821241 0.88 TUBB1 (0.34) KMT2AFAAHTUBB1KDM4EGAA
SCHEMBL12822924 0.87 TUBB1 (0.44) KMT2AMEN1FAAHTUBB1KDM4E
SCHEMBL12821251 0.87 PTGS2 (0.38) KMT2AMEN1KDM4EDRD2HTR2A
SCHEMBL12823685 0.86 KCNA3 (0.31) —

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-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP disclosed
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