SCHEMBL28840934

SCHEMBL28840934

CCP(=O)(O)CC.[AlH3].[Ti].[Ti]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.48
GABBR1 Q9UBS5 2/20 0.48
MMP2 P08253 3/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 1/20 0.38
FDPS P14324 4/20 0.35
LAP3 P28838 1/20 0.35
GABRR1 P24046 1/20 0.35
LPAR3 Q9UBY5 3/20 0.33
MMP1 P03956 2/20 0.33
MMP3 P08254 2/20 0.33
MMP8 P22894 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33
MMP9 P14780 1/20 0.33
USP2 O75604 1/20 0.32
ALOX15 P16050 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
SCHEMBL19809597 0.96 GABBR2 (0.50) GABBR2GABBR1MMP2KDM4ETHRB
SCHEMBL19895692 0.96
SCHEMBL5687858 0.96 GABBR2 (0.50) GABBR2GABBR1MMP2KDM4ETHRB
SCHEMBL19809600 0.96 GABBR2 (0.50) GABBR2GABBR1MMP2KDM4ETHRB
SCHEMBL19809602 0.96 GABBR2 (0.50) GABBR2GABBR1MMP2KDM4ETHRB
SCHEMBL191930 0.96
SCHEMBL28168917 0.93
SCHEMBL27963596 0.93
Water SCHEMBL28296827 0.93 GABBR2 (0.48) GABBR2GABBR1MMP2KDM4ETHRB
Phosphoric Acid SCHEMBL28289798 0.93 GABBR2 (0.48) GABBR2GABBR1MMP2KDM4ETHRB

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-106700042-A Antimony-free environment-friendly flame-retardant polyester chip and preparation method thereof 浙江恒逸高新材料有限公司 2017-05-24 CN disclosed