SCHEMBL9857715

SCHEMBL9857715

O=P(O)(ON1CCCCC1)ON1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MAPT P10636 1/20 0.41
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2165602 0.97 FDPS (0.37) FDPSMMP1MMP2MMP3MMP9
SCHEMBL1242731 0.86 MAPT (0.40) FDPSMMP1MMP2MMP3MMP9
SCHEMBL27610204 0.86 MAPT (0.40) FDPSMMP1MMP2MMP3MMP9
SCHEMBL27939231 0.86 FDPS (0.35) FDPSMMP1MMP2MMP3MMP9
SCHEMBL28252697 0.86 FDPS (0.35) FDPSMMP1MMP2MMP3MMP9
SCHEMBL7914282 0.84 MAPT (0.39) FDPSMMP1MMP2MMP3MMP9
SCHEMBL5874245 0.84 FDPS (0.41) FDPSMMP1MMP2MMP3MMP9
SCHEMBL21616468 0.83 FDPS (0.32) FDPSMMP1MMP2MMP3MMP9
Phosphoric Acid SCHEMBL27564760 0.82 FDPS (0.39) FDPSMMP1MMP2MMP3MMP9
SCHEMBL27779937 0.82 FDPS (0.39) FDPSMMP1MMP2MMP3MMP9

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
EP-0272330-B1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1991-05-22 EP disclosed