SCHEMBL8420868

SCHEMBL8420868

CCCCCCCCCCC1Cc2ccc(B(O)O)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.44
LPL P06858 7/20 0.44
TRPV1 Q8NER1 1/20 0.44
MGLL Q99685 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C8 P10632 2/20 0.43
S1PR3 Q99500 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FYN P06241 1/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
S1PR1 P21453 5/20 0.36
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36
TBXA2R P21731 1/20 0.36
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL8126930 1.00 LIPG (0.44) LIPGLPLTRPV1MGLLCYP3A4
SCHEMBL8556025 1.00 LIPG (0.44) LIPGLPLTRPV1MGLLCYP3A4
SCHEMBL31707932 0.98 FYN (0.44) LIPGLPLTRPV1MGLLCYP3A4
SCHEMBL8554506 0.98 FYN (0.44) LIPGLPLTRPV1MGLLCYP3A4
SCHEMBL7064617 0.78 FYN (0.36) LIPGLPLTRPV1MGLLCYP3A4
SCHEMBL30927089 0.77 FYN (0.44) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL6838956 0.77 PNMT (0.46) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL6839687 0.77 PNMT (0.46) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL9838348 0.76 IDO1 (0.47) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL8552881 0.76 IDO1 (0.47) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9

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-0625513-B1 Mesomorphic compound, liquid crystal composition containing it, liquid crystal device using the composition, display apparatus and method CANON KK (JP) 1999-09-22 EP disclosed
US-5580488-A DISPOSING LIQUID CRYSTAL COMPOSITION BETWEEN A PAIR OF ELECTRODE PLATES CANON KABUSHIKI KAISHA (JP) 1996-12-03 US disclosed
EP-0625513-A1 Mesomorphic compound, liquid crystal composition containing it, liquid crystal device using the composition, display apparatus and method CANON KABUSHIKI KAISHA (JP) 1994-11-23 EP disclosed