SCHEMBL4282235

SCHEMBL4282235

C=CC(=O)O[C@@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4A P27815 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
AKR1B1 P15121 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
SCHEMBL4268360 1.00 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4268307 1.00 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL2955654 1.00 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4269101 1.00 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4271811 1.00 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4267192 1.00 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4271778 0.95 LMNA (0.34) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4274417 0.95 LMNA (0.34) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4283834 0.95 LMNA (0.34) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL4267048 0.95 LMNA (0.34) LMNAL3MBTL1PDE4ATDP1USP2

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-20090294362-A1 STATIONARY PHASE FOR HYDROPHILIC INTERACTION CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2009-12-03 US claimed
US-20090294362-A1 STATIONARY PHASE FOR HYDROPHILIC INTERACTION CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2009-12-03 US disclosed