SCHEMBL7733176

SCHEMBL7733176

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.37
THRB P10828 2/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.35
FAAH O00519 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
POLB P06746 1/20 0.33
OXER1 Q8TDS5 2/20 0.32
ALOX5 P09917 1/20 0.32
ALOX12 P18054 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 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
SCHEMBL7733675 0.88 OXER1 (0.36) PPARATHRBZDHHC2POLBOXER1
SCHEMBL7736338 0.79 LMNA (0.38) THRBZDHHC2POLBKMT2AMEN1
SCHEMBL8214412 0.75 THRB (0.49) PPARATHRBCNR1CNR2
SCHEMBL8214414 0.75 KMT2A (0.37) PPARATHRBZDHHC2PTPN2PTPN1
SCHEMBL1171834 0.73 CA2 (0.38) THRBZDHHC2POLBKMT2AMEN1
SCHEMBL1226755 0.73 PPARA (0.44) PPARAFAAHCNR1CNR2PTPN2
SCHEMBL1226758 0.73 PPARA (0.44) PPARAFAAHCNR1CNR2PTPN2
SCHEMBL11483113 0.72 ZDHHC2 (0.56) PPARAZDHHC2FAAHCNR1CNR2
SCHEMBL11483550 0.72 ZDHHC2 (0.56) PPARAZDHHC2FAAHCNR1CNR2
SCHEMBL11491365 0.72 ZDHHC2 (0.56) PPARAZDHHC2FAAHCNR1CNR2

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