SCHEMBL11118056

SCHEMBL11118056

CC(=O)C(C(C)C)(C(C)C)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL8002993 0.79 CYP1A2 (0.34) FDPSLMNACA12CA1CA2
SCHEMBL7836565 0.73 MMP1 (0.38) FDPSCA12CA1CA2MMP1
SCHEMBL4995125 0.69 MMP8 (0.40) LMNAMMP8
SCHEMBL18486450 0.69 MMP1 (0.43) FDPSLMNAMMP1MMP2MMP8
SCHEMBL12570890 0.65 LMNA (0.40) FDPSLMNACA12CA1CA2
SCHEMBL7185620 0.65 LMNA (0.40) FDPSLMNACA12CA1CA2
SCHEMBL19211974 0.65 LMNA (0.40) FDPSLMNACA12CA1CA2
SCHEMBL8718515 0.64 MMP1 (0.33) FDPSCA12CA1CA2MMP1
SCHEMBL10580976 0.63 LMNA (0.45) FDPSLMNACA2
SCHEMBL2087244 0.63 LMNA (0.45) FDPSLMNACA2

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-0121117-A1 Derivatives of dihydropyridine and production thereof NIPPON SHINYAKU COMPANY, LIMITED (JP) 1984-10-10 EP disclosed