SCHEMBL8842579

SCHEMBL8842579

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
FDPS P14324 2/20 0.35
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 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
SCHEMBL2202444 0.76 CPT2 (0.40) LMNA
SCHEMBL282108 0.73 TP53 (0.41) LMNAFDPSTP53CA12CA1
SCHEMBL9451028 0.73 TP53 (0.35) LMNAFDPSTP53CA12CA1
SCHEMBL458686 0.71 PGK1 (0.33) LMNATSHR
SCHEMBL9461968 0.71 LMNA (0.36) LMNAFDPSTP53ALDH1A1TSHR
SCHEMBL28486 0.71 TP53 (0.42) TP53ALDH1A1TSHR
SCHEMBL2982314 0.70 LMNA (0.39) LMNAFDPSTP53ALDH1A1CA12
Phosphoric Acid SCHEMBL5917774 0.70 KDM4E (0.33) TSHR
SCHEMBL8842718 0.70 FDPS (0.39) FDPSTP53
Alcohol SCHEMBL11401577 0.69 FDPS (0.33) LMNAFDPS

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
US-5683994-A BONE DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1997-11-04 US disclosed