SCHEMBL8550656

SCHEMBL8550656

CCCCCCCCC1Cc2ccc(-c3ccc(-c4ccc5c(c4)CC(CCCCCCCC)C5)s3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C8 P10632 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FYN P06241 1/20 0.38
S1PR1 P21453 6/20 0.33
PRF1 P14222 4/20 0.33
S1PR4 O95977 2/20 0.33
S1PR5 Q9H228 2/20 0.33
TBXA2R P21731 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL8552673 0.80 CYP3A4 (0.40) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8556156 0.80 CYP3A4 (0.40) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8553176 0.79 CYP3A4 (0.46) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8554905 0.79 CYP3A4 (0.44) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8554909 0.79 CYP3A4 (0.44) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL6839687 0.76 PNMT (0.46) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL6838956 0.76 PNMT (0.46) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8710270 0.76 CYP3A4 (0.49) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8558566 0.76 CYP3A4 (0.40) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8558587 0.75 FYN (0.36) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9

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