SCHEMBL9706730

SCHEMBL9706730

CCC(=O)P(=O)(O)ONCCC(C)CC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 1/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL140141 0.71 FDPS (0.38)
Hydrochloric Acid SCHEMBL2387152 0.69 HRH4 (0.32)
SCHEMBL3001745 0.66 MMP1 (0.35) MMP1MMP2MMP3CA12CA1
SCHEMBL22644185 0.63
SCHEMBL20616625 0.62 EPHX1 (0.48) CA1CA2
SCHEMBL13986844 0.62
SCHEMBL8435124 0.61 KDM4E (0.46)
SCHEMBL6722028 0.61 HRH4 (0.40) CA1CA2
SCHEMBL6722031 0.61 CYP2D6 (0.44) CA1CA2
Phosphoric Acid SCHEMBL3845005 0.60 LAP3 (0.46) MMP1MMP2MMP3CA12CA1

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
WO-1992011267-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO disclosed