SCHEMBL7733675

SCHEMBL7733675

CC/C=C/C=C/C(=O)Oc1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.36
PPARA Q07869 1/20 0.36
THRB P10828 2/20 0.34
POLB P06746 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 1/20 0.33
MAOB P27338 2/20 0.32
ESR1 P03372 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL7733176 0.88 PPARA (0.37) OXER1PPARATHRBPOLBZDHHC2
SCHEMBL11884624 0.83 ZDHHC2 (0.48) OXER1PPARATHRBPOLBZDHHC2
SCHEMBL7736338 0.81 LMNA (0.38) THRBPOLBZDHHC2KMT2AMEN1
SCHEMBL1171834 0.75 CA2 (0.38) THRBPOLBZDHHC2KMT2AMEN1
SCHEMBL8220602 0.74 KMT2A (0.39) PPARATHRBPOLBZDHHC2KMT2A
SCHEMBL8220598 0.73 PPARA (0.49) PPARATHRBPOLB
SCHEMBL28717245 0.71 ELANE (0.35) THRBKMT2AMEN1MAOBSMN1; SMN2
SCHEMBL1877573 0.70 ZDHHC2 (0.51) THRBPOLBZDHHC2KMT2AMEN1
SCHEMBL6663437 0.70 ZDHHC2 (0.51) THRBPOLBZDHHC2KMT2AMEN1
SCHEMBL9561676 0.70 ZDHHC2 (0.51) THRBPOLBZDHHC2KMT2AMEN1

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
EP-0929508-B1 LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS QINETIQ LTD (GB) 2002-03-20 EP disclosed