SCHEMBL9828135

SCHEMBL9828135

CC(=O)OCC(CCl)OCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKCA P17252 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 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
SCHEMBL9019705 0.91 AR (0.41) ARTDP1ALDH1A1LMNAHSD17B10
SCHEMBL2562190 0.86 AR (0.41) ARTDP1ALDH1A1LMNAHSD17B10
SCHEMBL9827309 0.82 AR (0.37) ARTDP1ALDH1A1LMNAHSD17B10
SCHEMBL4282945 0.81 AR (0.57) ARTDP1ALDH1A1LMNAHSD17B10
SCHEMBL2152803 0.80 ALDH1A1 (0.41) ARTDP1ALDH1A1LMNAHSD17B10
SCHEMBL14421570 0.75 AR (0.34) ARTDP1ALDH1A1LMNAHSD17B10
SCHEMBL1107605 0.74 LMNA (0.38) ARTDP1ALDH1A1LMNAHSD17B10
SCHEMBL9836081 0.73 TDP1 (0.43) ARTDP1ALDH1A1LMNAHSD17B10
Triacetin SCHEMBL19859036 0.72 AR (0.50) ARTDP1ALDH1A1LMNAHSD17B10
SCHEMBL10481459 0.72 TDP1 (0.46) ARTDP1ALDH1A1LMNAHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217207-B1 2-AMINO PURINES SUBSTITUTED IN POSITIONS 6 AND 9, THEIR USE, MEDICAMENTS CONTAINING THESE PURINES AND PROCESSES FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-10 EP disclosed
EP-0400686-A1 2-Amino-9-[1,3bis-(isopropoxy)-propyl-2-oxymethyl]-purine, its utilization and medicaments containing it HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-05 EP disclosed
EP-0217207-A1 2-Amino purines substituted in positions 6 and 9, their use, medicaments containing these purines and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed