SCHEMBL673475

SCHEMBL673475

CCCCC(CC)CC(CCC)P(=O)([O-])[O-].CCCCC(CC)CC(CCC)P(=O)([O-])[O-].CCCCC(CC)CC(CCC)P(=O)([O-])[O-].[Cr+3].[Cr+3]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA2 P00918 4/20 0.42
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 5/20 0.39
GGPS1 O95749 2/20 0.37
FDPS P14324 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL639159 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL672801 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL148356 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL2775263 0.79 FDPS (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL7873954 0.78 FDPS (0.41) CYP3A4L3MBTL1CA2ALDH1A1TDP1
Phosphoric Acid SCHEMBL28078858 0.76 ALDH1A1 (0.52) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL673441 0.75 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL7640430 0.75 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL27241159 0.74 CYP3A4 (0.42) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL29493900 0.73 FDPS (0.50) CYP3A4L3MBTL1CA2ALDH1A1FDPS

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-8067503-B2 Process for producing blends of syndiotactic, 1,2-polybutadiene and rubbery elastomers BRIDGESTONE CORPORATION (JP) 2011-11-29 US disclosed