SCHEMBL8071764

SCHEMBL8071764

CC(=O)OC(CCl)COCC(CCl)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
PRKCA P17252 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
HRH1 P35367 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
PGD P52209 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL28558230 0.91 AR (0.42) ARPRKCATSHRSMN1; SMN2MEN1
SCHEMBL203645 0.85
SCHEMBL4282945 0.84 AR (0.57) ARPRKCATSHRSMN1; SMN2MEN1
SCHEMBL6933814 0.79
SCHEMBL7033594 0.79 PRKCA (0.56) PRKCATSHRMAPT
SCHEMBL204785 0.79
SCHEMBL9772063 0.78 AR (0.40) ARPRKCATSHRSMN1; SMN2MEN1
SCHEMBL9772072 0.78 AR (0.40) ARPRKCATSHRSMN1; SMN2MEN1
SCHEMBL6931051 0.78 PRKCA (0.47) ARPRKCALMNATDP1MAPT
SCHEMBL9772069 0.78 AR (0.40) ARPRKCATSHRSMN1; SMN2MEN1

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
US-6136815-A VIRICIDES FOR TREATMENT OF AIDS KOREA RESEARCH INST. OF CHEM. TECH. (KR) 2000-10-24 US disclosed
EP-0912526-A1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 1999-05-06 EP disclosed
WO-1997043266-A1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-11-20 WO disclosed