SCHEMBL28091034

SCHEMBL28091034

CCCCP(=O)(O)C1CCCCC1.[AlH3].[Zn]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.39
S1PR3 Q99500 8/20 0.39
S1PR5 Q9H228 6/20 0.39
S1PR4 O95977 5/20 0.39
GABBR2 O75899 1/20 0.37
GABRR1 P24046 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
LPAR3 Q9UBY5 3/20 0.36
S1PR2 O95136 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
CYP1A2 P05177 1/20 0.36
NAAA Q02083 2/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL7856958 0.96 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4GABBR2
SCHEMBL20575082 0.94 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4GABBR2
SCHEMBL17169198 0.89 LPAR3 (0.50) S1PR1S1PR3S1PR5S1PR4LPAR3
SCHEMBL21101686 0.89 LPAR3 (0.50) S1PR1S1PR3S1PR5S1PR4LPAR3
SCHEMBL7859641 0.87 LPAR3 (0.52) S1PR1S1PR3S1PR5S1PR4LPAR3
SCHEMBL31315619 0.84 S1PR1 (0.36) S1PR1S1PR3S1PR5S1PR4LPAR3
SCHEMBL31315620 0.82 S1PR1 (0.37) S1PR1S1PR3S1PR5S1PR4GABBR2
SCHEMBL6351544 0.77 LMNA (0.46) GABBR2GABRR1GABBR1CYP1A2
SCHEMBL575534 0.76 CYP1A2 (0.41) S1PR1S1PR3S1PR5S1PR4GABBR2
SCHEMBL575327 0.76 CYP1A2 (0.41) S1PR1S1PR3S1PR5S1PR4GABBR2

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
CN-103980662-B A kind of ethoxyline resin antiflaming compositions and preparation method thereof 江汉大学 2016-08-31 CN disclosed