SCHEMBL8938948

SCHEMBL8938948

CCCCCCCC1CC=C(c2ccc(-c3ccc(-c4ccc(CCCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.34
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
S1PR3 Q99500 1/20 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
SCHEMBL8938842 0.99 ESR2 (0.35) ESR2CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8938960 0.98 ESR2 (0.34) ESR2CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8938963 0.98 ESR2 (0.34) ESR2CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8938837 0.98 ESR2 (0.34) ESR2CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8938878 0.98 ESR2 (0.34) ESR2CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8938956 0.98 ESR2 (0.34) ESR2CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8938959 0.98 ESR2 (0.34) ESR2CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8938874 0.98 ESR2 (0.34) ESR2CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8938955 0.98 ESR2 (0.34) ESR2CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8938859 0.98 ESR2 (0.34) ESR2CYP3A4CYP2C8CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
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
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