SCHEMBL13263152

SCHEMBL13263152

CCCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
FASN P49327 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
CHKA P35790 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL12999818 0.97 DGAT1 (0.32) DGAT1CTSLCTSSCTSKFASN
SCHEMBL8934163 0.91 RARB (0.37) DGAT1FFAR4CNR1CNR2
SCHEMBL12999836 0.90 CNR1 (0.35) DGAT1FFAR4CNR1CNR2
SCHEMBL12999901 0.89 CTSL (0.36) CTSLCTSSCTSKFFAR4CHKA
SCHEMBL8934176 0.89 OPRL1 (0.37) DGAT1CTSLCTSSCTSKFFAR4
SCHEMBL13262907 0.88 RARB (0.35) CNR1CNR2
SCHEMBL12999824 0.87 DGAT1 (0.34) DGAT1FASNFFAR4
SCHEMBL13263158 0.87 DGAT1 (0.30) DGAT1
SCHEMBL8934216 0.87 CTSL (0.33) DGAT1CTSLCTSSCTSK
SCHEMBL8934312 0.86 CTSL (0.32) DGAT1CTSLCTSSCTSK

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