SCHEMBL2389438

SCHEMBL2389438

CC(C(=O)OC(=O)C(=O)OC(=O)C(C)c1cccc(CNCCO)c1)c1cccc(CNCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
BCHE P06276 3/20 0.39
PDCD1 Q15116 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
BACE1 P56817 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
VSIR Q9H7M9 1/20 0.36
POLB P06746 1/20 0.36
CTSD P07339 1/20 0.36

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
SCHEMBL2389238 0.88 L3MBTL1 (0.46) MEN1KMT2APTGS1PTGS2BCHE
SCHEMBL2390872 0.84 MEN1 (0.45) MEN1KMT2APTGS1PTGS2BCHE
Oxalic Acid SCHEMBL2389436 0.82 PTGS1 (0.44) MEN1KMT2APTGS1PTGS2BCHE
SCHEMBL13999438 0.79 BACE1 (0.50) BCHEPDCD1CD274BACE1CTSD
SCHEMBL5528751 0.74 SLC7A5 (0.42) MEN1KMT2APDCD1CD274KDM4E
SCHEMBL28519935 0.73 BCHE (0.50) MEN1KMT2ABCHEPDCD1CD274
SCHEMBL10859843 0.72 PDCD1 (0.53) MEN1KMT2APDCD1CD274VSIR
Oxalic Acid SCHEMBL2389235 0.71 MEN1 (0.47) MEN1KMT2APTGS1KDM4ECYP2C9
SCHEMBL27664420 0.71 BCHE (0.50) MEN1KMT2ABCHEBACE1
SCHEMBL28499999 0.71 PTGS2 (0.56) MEN1KMT2APTGS1PTGS2CYP2C9

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-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed