SCHEMBL28087172

SCHEMBL28087172

O=P(O)(C1CCCCC1)C1CCCCC1.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.39
CA12 O43570 6/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 6/20 0.39
MMP1 P03956 3/20 0.39
MMP8 P22894 3/20 0.39
MMP3 P08254 2/20 0.39
FDPS P14324 1/20 0.39
MMP9 P14780 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
METAP1 P53582 1/20 0.34
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 2/20 0.33
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 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
SCHEMBL790576 0.97 MMP2 (0.41) MMP2CA12CA1CA2CA9
SCHEMBL968968 0.97 MMP2 (0.41) MMP2CA12CA1CA2CA9
SCHEMBL9622652 0.94 MMP2 (0.39) MMP2CA12CA1CA2CA9
SCHEMBL18378315 0.94 MMP2 (0.39) MMP2CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL10629849 0.94 MMP2 (0.39) MMP2CA12CA1CA2CA9
SCHEMBL18378098 0.94 MMP2 (0.39) MMP2CA12CA1CA2CA9
SCHEMBL969691 0.94 MMP2 (0.39) MMP2CA12CA1CA2CA9
SCHEMBL28070932 0.91 MMP2 (0.37) MMP2CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL11774268 0.91 MMP2 (0.37) MMP2CA12CA1CA2CA9
SCHEMBL18261819 0.79 MMP2 (0.41) MMP2CA12CA1CA2CA9

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-105199145-B A kind of fire retardant combination for polymer and its preparation method and application and consisting of flame-retardant polymer moulding compound 广州金凯新材料有限公司 2016-09-14 CN disclosed