SCHEMBL14765761

SCHEMBL14765761

CCCCOc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.41
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
FFAR1 O14842 3/20 0.39
PPARD Q03181 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TUBB1 Q9H4B7 3/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37

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
SCHEMBL14765873 0.96 AHR (0.43) AHRRARARARBFFAR1PPARD
SCHEMBL14766126 0.94 TUBB4A (0.41) AHRRARARARBFFAR1PPARD
SCHEMBL14765709 0.94 FFAR1 (0.43) AHRFFAR1PPARDPPARGPPARA
SCHEMBL14765878 0.92 AHR (0.43) AHRFFAR1TUBB1FFAR4MEN1
SCHEMBL14766299 0.92 AHR (0.43) AHRFFAR1TUBB1FFAR4MEN1
SCHEMBL14765708 0.91 AHR (0.38) AHRRARARARBFFAR1PPARD
SCHEMBL12821129 0.90 TUBB1 (0.44) AHRFFAR1PPARDPPARGPPARA
SCHEMBL14765961 0.89 AHR (0.38) AHRRARARARBFFAR1PPARD
SCHEMBL14767180 0.89 TUBB1 (0.47) AHRFFAR1PPARDPPARGPPARA
SCHEMBL12734713 0.89 NFE2L2 (0.39) AHRRARARARBATP4AATP4B

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