SCHEMBL14765708

SCHEMBL14765708

C=CCCCOc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
S1PR1 P21453 1/20 0.35
CNR2 P34972 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR1 O14842 2/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ATP4A P20648 3/20 0.34
ATP4B P51164 3/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 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
SCHEMBL14765961 0.96 AHR (0.38) AHRRARARARBS1PR1CNR2
SCHEMBL14765873 0.93 AHR (0.43) AHRRARARARBS1PR1HDAC8
SCHEMBL14765972 0.92 AHR (0.39) AHRCNR2HDAC8MEN1KMT2A
SCHEMBL14766665 0.92 AHR (0.39) AHRCNR2HDAC8MEN1KMT2A
SCHEMBL14765956 0.92 FFAR1 (0.38) AHRMEN1KMT2AFFAR1PPARG
SCHEMBL14766126 0.91 TUBB4A (0.41) AHRRARARARBS1PR1HDAC8
SCHEMBL14765761 0.91 AHR (0.41) AHRRARARARBS1PR1HDAC8
SCHEMBL14766538 0.90 AHR (0.42) AHRCNR2MEN1KMT2AFFAR1
SCHEMBL12734721 0.90 NFE2L2 (0.37) S1PR1TUBB1
SCHEMBL14765968 0.89 AHR (0.39) AHRCNR2HDAC8MEN1KMT2A

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