SCHEMBL9690084

SCHEMBL9690084

O=C(O)C(OO)C(OO)C(O)C(O)C(O)CO

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
USP2 O75604 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
OR51E2 Q9H255 1/20 0.33
KDM4E B2RXH2 2/20 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
SCHEMBL10753257 0.86 PDE4A (0.56) PDE4AUSP2SLCO1B1LMNAL3MBTL1
SCHEMBL15563004 0.86 PDE4A (0.56) PDE4AUSP2SLCO1B1LMNAL3MBTL1
SCHEMBL1043260 0.84 PDE4A (0.54) PDE4AUSP2SLCO1B1LMNAL3MBTL1
SCHEMBL2321997 0.84 PDE4A (0.54) PDE4AUSP2SLCO1B1LMNAL3MBTL1
SCHEMBL11390862 0.84 PDE4A (0.54) PDE4AUSP2SLCO1B1LMNAL3MBTL1
SCHEMBL2988031 0.81 PDE4A (0.42) PDE4AUSP2SLCO1B1LMNAL3MBTL1
SCHEMBL11404227 0.81 PDE4A (0.61) PDE4AUSP2SLCO1B1LMNAL3MBTL1
SCHEMBL612464 0.79 PDE4A (0.44) PDE4AUSP2SLCO1B1LMNAL3MBTL1
SCHEMBL6361709 0.76 PDE4A (0.38) PDE4AUSP2SLCO1B1LMNAL3MBTL1
SCHEMBL1133254 0.76 PDE4A (0.59) PDE4AUSP2SLCO1B1LMNAL3MBTL1

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-5157134-A HMG-COA reductase inhibitors; antilipemic agents; promotes high-density lipoproteins; antitumor agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed