SCHEMBL4196802

SCHEMBL4196802

C=COC(=O)CC(O)CO

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
VCAM1 P19320 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL6154882 0.89 SLC22A6 (0.38) CA1CA2CA7
SCHEMBL11361190 0.81 CA1 (0.35) CA1CA2CA7
SCHEMBL6844643 0.80
SCHEMBL1907257 0.79 TDP1 (0.42) LMNAALDH1A1CA1CA2CA7
SCHEMBL19506901 0.77
SCHEMBL11218603 0.76 CA1 (0.40) LMNACA1CA2CA7KDM4E
SCHEMBL4987205 0.76
SCHEMBL7942709 0.76 SLC6A2 (0.30) MEN1KMT2A
SCHEMBL28108708 0.75 SLC1A1 (0.36)
SCHEMBL1246584 0.75 TSHR (0.48) ALDH1A1CA1CA2CA7

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-20090011007-A1 Pharmaceutical Compositions Containing Mixtures of Polymers and Active Agents Poorly Soluble in Water EVONIK ROEHM GMBH (DE) 2009-01-08 US disclosed