SCHEMBL14766538

SCHEMBL14766538

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TUBB1 Q9H4B7 3/20 0.38
CNR2 P34972 2/20 0.38
POLB P06746 1/20 0.38
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

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
SCHEMBL14766536 0.96 AHR (0.42) AHRKMT2AMEN1TUBB1CNR2
SCHEMBL14766868 0.92 AHR (0.48) AHRKMT2AMEN1TUBB1POLB
SCHEMBL14766968 0.91 FFAR1 (0.42) AHRKMT2AMEN1TUBB1POLB
SCHEMBL14765708 0.90 AHR (0.38) AHRKMT2AMEN1TUBB1CNR2
SCHEMBL14767180 0.90 TUBB1 (0.47) AHRKMT2AMEN1TUBB1POLB
SCHEMBL14766430 0.90 TUBB1 (0.46) AHRKMT2AMEN1TUBB1POLB
SCHEMBL12739589 0.88 NFE2L2 (0.42) KMT2ATUBB1ALDH1A1L3MBTL1MAPT
SCHEMBL14766665 0.88 AHR (0.39) AHRKMT2AMEN1TUBB1CNR2
SCHEMBL14765972 0.88 AHR (0.39) AHRKMT2AMEN1TUBB1CNR2
SCHEMBL14765961 0.86 AHR (0.38) AHRTUBB1CNR2TUBB4ATUBB

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