SCHEMBL28853995

SCHEMBL28853995

CCCCNC(CC)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
FDPS P14324 5/20 0.43
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
LPAR3 Q9UBY5 3/20 0.40
LPAR2 Q9HBW0 1/20 0.40
MMP1 P03956 1/20 0.40
LAP3 P28838 2/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL11662416 0.87 MMP2 (0.45) MMP2FDPSS1PR2S1PR4S1PR1
(Butylamino)Methylenediphosphonic Acid SCHEMBL7786904 0.80 MMP2 (0.48) MMP2FDPSS1PR2S1PR4S1PR1
SCHEMBL6578396 0.79 FNTA (0.53) FDPSS1PR2S1PR4S1PR1S1PR3
SCHEMBL7619688 0.79 FNTA (0.53) FDPSS1PR2S1PR4S1PR1S1PR3
SCHEMBL3833047 0.79 FNTA (0.53) FDPSS1PR2S1PR4S1PR1S1PR3
SCHEMBL7613205 0.79 FNTA (0.53) FDPSS1PR2S1PR4S1PR1S1PR3
SCHEMBL3976913 0.79 FNTA (0.53) FDPSS1PR2S1PR4S1PR1S1PR3
SCHEMBL1123699 0.79 FNTA (0.53) FDPSS1PR2S1PR4S1PR1S1PR3
SCHEMBL3059485 0.79 FNTA (0.53) FDPSS1PR2S1PR4S1PR1S1PR3
SCHEMBL28852802 0.77 MMP2 (0.45) MMP2FDPSS1PR2S1PR4S1PR1

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-115128196-A Method for determining impurities in compound butafosfan injection 河北远征禾木药业有限公司 2022-09-30 CN disclosed