SCHEMBL672778

SCHEMBL672778

CCCCCCC(C)C(OP(=O)([O-])[O-])C(CC)CCCC.CCCCCCC(C)C(OP(=O)([O-])[O-])C(CC)CCCC.CCCCCCC(C)C(OP(=O)([O-])[O-])C(CC)CCCC.[Cr+3].[Cr+3]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.39
GGPS1 O95749 2/20 0.38
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FDPS P14324 4/20 0.35
TRPM8 Q7Z2W7 3/20 0.34
S1PR2 O95136 3/20 0.34
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 3/20 0.34
S1PR4 O95977 2/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL1995547 0.83 SMPD1 (0.56) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4185332 0.82 SMPD1 (0.54) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL7188026 0.78 SMPD1 (0.34) SMPD1CA2FDPS
SCHEMBL4448118 0.77 SMPD1 (0.44) SMPD1CYP3A4L3MBTL1FDPSTRPM8
SCHEMBL6908494 0.76 CYP3A4 (0.37) SMPD1GGPS1CA2CYP3A4L3MBTL1
SCHEMBL29948842 0.75 SMPD1 (0.38) SMPD1GGPS1CA2FDPSTRPM8
SCHEMBL4448119 0.74 SMPD1 (0.59) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL25175095 0.72 CYP3A4 (0.37) SMPD1CA2CYP3A4L3MBTL1FDPS
SCHEMBL215423 0.72 CYP3A4 (0.37) SMPD1CA2CYP3A4L3MBTL1FDPS
SCHEMBL672785 0.72 CYP3A4 (0.37) SMPD1CA2CYP3A4L3MBTL1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252979-A1 Process for Producing Blends of Syndiotactic, 1,2-Polybutadiene and Rubbery Elastomers RADEMACHER CHRISTINE (US) 2012-10-04 US disclosed
US-8067503-B2 Process for producing blends of syndiotactic, 1,2-polybutadiene and rubbery elastomers BRIDGESTONE CORPORATION (JP) 2011-11-29 US disclosed