SCHEMBL13263185

SCHEMBL13263185

Cc1ccc(-c2ccc(-c3ccc(C4=CCC(C5CCCCC5)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
APP P05067 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
SCHEMBL15256155 0.92 APP (0.33) KDM1ACYP3A4CYP2C9APP
SCHEMBL12999865 0.90 HSD11B1 (0.30)
SCHEMBL8965998 0.86
SCHEMBL19863283 0.86 HPGD (0.31)
SCHEMBL8966157 0.86
SCHEMBL8965303 0.86
SCHEMBL21609894 0.84 HPGD (0.31)
SCHEMBL13000116 0.84 KDM1A (0.31) KDM1A
SCHEMBL8965535 0.83
SCHEMBL26802980 0.83 HPGD (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-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed