SCHEMBL8565442

SCHEMBL8565442

COC(=O)[C@@H](C)CP(C)(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CA14 Q9ULX7 3/20 0.35
CA12 O43570 4/20 0.33
MMP1 P03956 4/20 0.33
MMP2 P08253 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
MMP8 P22894 3/20 0.33
MMP9 P14780 1/20 0.33
MMP3 P08254 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESRRB O95718 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 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
SCHEMBL8565444 1.00 SMN1; SMN2 (0.38) SMN1; SMN2CA14CA12MMP1MMP2
SCHEMBL8558146 1.00 SMN1; SMN2 (0.38) SMN1; SMN2CA14CA12MMP1MMP2
SCHEMBL2403902 0.84 GABRR1 (0.39) SMN1; SMN2CA14CA12MMP1MMP2
SCHEMBL5456859 0.82 MMP1 (0.38) SMN1; SMN2CA14CA12MMP1MMP2
SCHEMBL2466027 0.82 MMP1 (0.38) SMN1; SMN2CA14CA12MMP1MMP2
SCHEMBL8558408 0.80 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12MMP1MMP2
SCHEMBL8558409 0.80 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12MMP1MMP2
SCHEMBL15259072 0.78 MMP1 (0.35) SMN1; SMN2CA14CA12MMP1MMP2
SCHEMBL2352012 0.77 MMP1 (0.38) SMN1; SMN2CA14CA12MMP1MMP2
SCHEMBL9697205 0.75 ANPEP (0.35) SMN1; SMN2CA12MMP1MMP2CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739373-A Optically active phosphono analogs of succinates and synthesis thereof MONSANTO COMPANY (US) 1998-04-14 US disclosed
US-5473092-A Synthesis of optically-active phosphono analogs of succinates MONSANTO COMPANY (US) 1995-12-05 US disclosed