SCHEMBL7021776

SCHEMBL7021776

CCCCCC=CC(=O)Oc1ccc(C23CCC(CCCCC)(CC2)CC3)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.35
SCN9A Q15858 2/20 0.33
HTR1A P08908 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR1 P21453 1/20 0.32
MAPT P10636 1/20 0.32
PSMB11 A5LHX3 1/20 0.31

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
SCHEMBL7021772 1.00 LTA4H (0.35) LTA4HSCN9AHTR1ACYP1A2CYP2E1
SCHEMBL7024112 0.99 LTA4H (0.34) LTA4HSCN9AHTR1ACYP1A2CYP2E1
SCHEMBL7024117 0.99 LTA4H (0.34) LTA4HSCN9AHTR1ACYP1A2CYP2E1
SCHEMBL7029735 0.98 SCN9A (0.33) LTA4HSCN9AHTR1ACYP1A2CYP2E1
SCHEMBL7029741 0.98 SCN9A (0.33) LTA4HSCN9AHTR1ACYP1A2CYP2E1
SCHEMBL7021291 0.97 S1PR5 (0.33) LTA4HSCN9AHTR1ACNR1CNR2
SCHEMBL7021284 0.97 S1PR5 (0.33) LTA4HSCN9AHTR1ACNR1CNR2
SCHEMBL7026153 0.96 LTA4H (0.35) LTA4HHTR1ACYP1A2CYP2E1CYP3A4
SCHEMBL7028311 0.96 SCN9A (0.33) LTA4HSCN9AS1PR5S1PR1
SCHEMBL7028314 0.96 SCN9A (0.33) LTA4HSCN9AS1PR5S1PR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929509-B1 LIQUID CRYSTAL ALKENYL BICYCLO 2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS QINETIQ LTD (GB) 2003-01-15 EP disclosed
US-6187393-B1 FOR LIQUID CRYSTAL DISPLAYS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-02-13 US disclosed