SCHEMBL14765883

SCHEMBL14765883

CCCCOC1CCC(c2ccc(COC3CCC(c4ccc(OCC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
NAAA Q02083 1/20 0.39
SCN9A Q15858 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HTR1A P08908 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL14766128 0.97 KDM1A (0.36) KDM1ANAAASCN9APDE4APDE4B
SCHEMBL14765815 0.94 NAAA (0.36) KDM1ANAAASCN9APDE4APDE4B
SCHEMBL12736642 0.91 NAAA (0.35) KDM1ANAAASCN9APDE4APDE4B
SCHEMBL14766226 0.91 NAAA (0.33) KDM1ANAAASCN9APDE4APDE4B
SCHEMBL14766150 0.91 KDM1A (0.44) KDM1ANAAAPDE4AHTR1AL3MBTL1
SCHEMBL14766554 0.90 SCN9A (0.33) KDM1ANAAASCN9A
SCHEMBL14767033 0.90 NAAA (0.36) NAAASCN9AHTR1A
SCHEMBL14765674 0.90 KDM1A (0.41) KDM1ASCN9APDE4APDE4BPDE4C
SCHEMBL14766551 0.90 NAAA (0.36) NAAASCN9AHTR1A
SCHEMBL12736635 0.90 KDM1A (0.38) KDM1ANAAA

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed