SCHEMBL28044189

SCHEMBL28044189

CCC(CC(=O)O)C(=O)OP.[AlH3]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.36
MMP12 P39900 2/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
MMP15 P51511 1/20 0.36
MMP16 P51512 1/20 0.36
MMP26 Q9NRE1 1/20 0.36
FOLH1 Q04609 2/20 0.34
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
FFAR1 O14842 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR3 O14843 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
SCHEMBL27321833 0.82
SCHEMBL28545874 0.80 MMP2 (0.39) MMP2MMP12MMP9MMP14MMP15
SCHEMBL6053670 0.78 CA2 (0.55) MMP2MMP12MMP9MMP14MMP15
SCHEMBL2709164 0.78 MEN1 (0.47) MMP2MMP12MMP9MMP14MMP15
SCHEMBL9544323 0.77 FFAR3 (0.38) MMP2MMP12MMP9MMP14MMP15
SCHEMBL19746179 0.75 MMP2 (0.36) MMP2MMP12MMP9MMP14MMP15
SCHEMBL27719527 0.75 HCAR2 (0.39) MMP2MMP12MMP9MMP14MMP15
SCHEMBL28814479 0.75 ALOX15 (0.37) MMP2MMP12MMP9MMP14MMP15
SCHEMBL28950520 0.75 FOLH1 (0.59) FOLH1
SCHEMBL21996181 0.73 CA2 (0.37) MMP2MMP12MMP9MMP14MMP15

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-105104456-A Preparation method of verticillium dahliae resistant composition JIANG XIANHUI 2015-12-02 CN disclosed