SCHEMBL8554506

SCHEMBL8554506

CCCCCC1Cc2ccc(B(O)O)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.44
LPL P06858 7/20 0.42
LIPG Q9Y5X9 7/20 0.42
TRPV1 Q8NER1 1/20 0.41
MGLL Q99685 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C8 P10632 2/20 0.41
S1PR3 Q99500 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TBXA2R P21731 1/20 0.36
S1PR1 P21453 5/20 0.35
SGPL1 O95470 1/20 0.35
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL31707932 1.00 FYN (0.44) FYNLPLLIPGTRPV1MGLL
SCHEMBL8420868 0.98 LIPG (0.44) FYNLPLLIPGTRPV1MGLL
SCHEMBL8126930 0.98 LIPG (0.44) FYNLPLLIPGTRPV1MGLL
SCHEMBL8556025 0.98 LIPG (0.44) FYNLPLLIPGTRPV1MGLL
SCHEMBL30927089 0.78 FYN (0.44) FYNCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL30832948 0.76 PNMT (0.47) FYNCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL30832942 0.76 PNMT (0.47) FYNCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL7064617 0.76 FYN (0.36) FYNLPLLIPGTRPV1MGLL
SCHEMBL12718678 0.75 FYN (0.75) FYNCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL6838956 0.75 PNMT (0.46) FYNCYP3A4CYP2C8S1PR3CYP2D6

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