SCHEMBL2937023

SCHEMBL2937023

CC(C)C(=O)OCOP(=O)(COC1(Cn2cnc3cnc(N)nc32)CC1)OCC(C)(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ADRA1A P35348 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC6 Q9UBN7 2/20 0.34
FAP Q12884 3/20 0.33
ABCB11 O95342 1/20 0.33
POLA1 P09884 1/20 0.33
POLG P54098 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
IRAK4 Q9NWZ3 2/20 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
SCHEMBL2912858 0.92 KDM4E (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
Lb80380 SCHEMBL29355183 0.84 FAP (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
Lb80380 SCHEMBL4270816 0.84 FAP (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2912291 0.84 ABCB11 (0.42) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2907772 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL5942177 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
Maleic Acid SCHEMBL4395451 0.81 FAP (0.40) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4415990 0.81 ABCB11 (0.40) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4419762 0.81 ABCB11 (0.40) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2906952 0.80 ABCB11 (0.42) KDM4EALDH1A1HPGDADRA1AHSD17B10

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
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP disclosed