SCHEMBL3582636

SCHEMBL3582636

CCCc1ccc(-c2ccc(-c3ccc(C4CO4)c(F)c3F)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPL P40238 5/20 0.35
NISCH Q9Y2I1 1/20 0.33
RARB P10826 1/20 0.32
CHKA P35790 1/20 0.32
MCL1 Q07820 1/20 0.31
BRD4 O60885 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
S1PR1 P21453 2/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL3582651 0.99 MPL (0.36) MPLNISCHRARBCHKABRD4
SCHEMBL10153203 0.93 RARB (0.38) MPLRARBCHKAMCL1BRD4
SCHEMBL12821228 0.92 MPL (0.33) MPLNISCHRARBBRD4
SCHEMBL12822754 0.91 CHKA (0.36) MPLCHKA
SCHEMBL12907934 0.90 RARB (0.37) MPLRARBCHKABRD4
SCHEMBL9015779 0.89 RARB (0.33) MPLRARBCHKAMCL1BRD4
SCHEMBL13674915 0.88 MPL (0.34) MPLNISCHRARBBRD4SLC5A1
SCHEMBL13264565 0.88 MPL (0.34) MPLNISCHRARBCHKABRD4
SCHEMBL13586379 0.87 BRD4 (0.39) MPLNISCHRARBCHKABRD4
SCHEMBL12907011 0.87 BRD4 (0.33) MPLRARBCHKABRD4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120097895-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2012-04-26 US disclosed