SCHEMBL8833964

SCHEMBL8833964

COCOC1CCC(c2ccc(-c3ccc(OC(F)(F)C(F)C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.37
CTSK P43235 1/20 0.33
RECQL P46063 1/20 0.31
ABHD6 Q9BV23 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
SCHEMBL8834149 0.91 NAAA (0.35) NAAACTSKRECQL
SCHEMBL8834342 0.90 FFAR4 (0.32) NAAA
SCHEMBL8833918 0.89 RECQL (0.32) RECQL
SCHEMBL8833736 0.89 NAAA (0.33) NAAACTSK
SCHEMBL7903766 0.86 RECQL (0.32) NAAACTSKRECQLABHD6
SCHEMBL7913544 0.85 ALDH1A1 (0.38)
SCHEMBL8834860 0.85 RECQL (0.32) NAAARECQLABHD6
SCHEMBL7903736 0.84 CYP11B1 (0.34) NAAA
SCHEMBL7917572 0.82 NAAA (0.31) NAAA
SCHEMBL7914144 0.82 CYP2C9 (0.39) NAAACTSKRECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640578-B1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 1997-11-05 EP disclosed
EP-0640578-A1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition Chisso Corporation (JP) 1995-03-01 EP disclosed