SCHEMBL14765972

SCHEMBL14765972

C=CCCCOc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
CNR2 P34972 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35

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
SCHEMBL14766665 1.00 AHR (0.39) AHRCNR2HDAC8MEN1KMT2A
SCHEMBL14765968 0.97 AHR (0.39) AHRCNR2HDAC8MEN1KMT2A
SCHEMBL14766889 0.97 AHR (0.39) AHRCNR2HDAC8MEN1KMT2A
SCHEMBL14766588 0.94 AHR (0.44) AHRHDAC8MEN1KMT2AABCG2
SCHEMBL14765747 0.94 AHR (0.44) AHRHDAC8MEN1KMT2AABCG2
SCHEMBL14765708 0.92 AHR (0.38) AHRCNR2HDAC8MEN1KMT2A
SCHEMBL14765926 0.91 TUBB4A (0.43) AHRHDAC8MEN1KMT2AABCG2
SCHEMBL14766924 0.91 TUBB4A (0.43) AHRHDAC8MEN1KMT2AABCG2
SCHEMBL14766547 0.91 RELA (0.39) AHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL14766215 0.91 RELA (0.39) AHRMEN1KMT2AALDH1A1L3MBTL1

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