SCHEMBL14766547

SCHEMBL14766547

C=CCCOc1ccc(/C=C/c2ccc(-c3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
ESR1 P03372 2/20 0.36
AHR P35869 1/20 0.36
PTGS2 P35354 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL14766215 1.00 RELA (0.39) RELATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14765968 0.94 AHR (0.39) RELATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14766889 0.94 AHR (0.39) RELATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14765956 0.92 FFAR1 (0.38) RELATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14765972 0.91 AHR (0.39) RELATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14766665 0.91 AHR (0.39) RELATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14766866 0.90 RELA (0.42) RELATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14766270 0.90 RELA (0.42) RELATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12734662 0.89 NFE2L2 (0.36) NFE2L2
SCHEMBL12739541 0.89 NFE2L2 (0.36) NFE2L2

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