SCHEMBL8552795

SCHEMBL8552795

CCCCCCCCC1Cc2ccc(C(=O)NCC(=O)O)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TBXA2R P21731 3/20 0.41
NAAA Q02083 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C8 P10632 2/20 0.40
S1PR3 Q99500 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL8553812 0.83 PLA2G2A (0.47) TBXA2RCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL8552683 0.81 CYP3A4 (0.47) TBXA2RCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL8553934 0.80 CYP3A4 (0.46) MAPK1TBXA2RCYP3A4CYP2C8S1PR3
SCHEMBL8553460 0.80 TBXA2R (0.45) TBXA2RCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL11213206 0.74 CYP3A4 (0.52) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL11209754 0.74 CYP3A4 (0.57) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8556777 0.74 CYP3A4 (0.46) TBXA2RCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL11072230 0.73 CYP3A4 (0.56) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL11072113 0.73 CYP3A4 (0.50) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL10929547 0.72 FYN (0.54) KDM4ETBXA2RCYP2C9MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed