SCHEMBL27657335

SCHEMBL27657335

CCC(=O)CC(CC)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
HRH1 P35367 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 4/20 0.38
TSHR P16473 3/20 0.37
SLC18A3 Q16572 1/20 0.35
ALOX15 P16050 1/20 0.34
PRKCA P17252 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 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
SCHEMBL1584634 0.81
SCHEMBL10414980 0.80 LMNA (0.60) SMN1; SMN2LMNAMEN1CYP1A2HRH1
SCHEMBL14930231 0.78 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMEN1CYP1A2HRH1
SCHEMBL9743514 0.77 MGAM (0.39) SMN1; SMN2LMNAMEN1CYP1A2HRH1
SCHEMBL265477 0.75 ALDH1A1 (0.44) SMN1; SMN2LMNAMEN1CYP1A2HRH1
SCHEMBL9745564 0.75 ALDH1A1 (0.44) SMN1; SMN2LMNAMEN1CYP1A2HRH1
SCHEMBL14064919 0.75
SCHEMBL1220663 0.75
SCHEMBL14409324 0.75
SCHEMBL29151532 0.74 TDP1 (0.38) SMN1; SMN2LMNAMEN1CYP1A2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101156893-A Mass control method of apricot red injection GUIYANG YUNYAN XICHUANG PHARM (CN) 2008-04-09 CN disclosed
CN-1939392-A Quality control of Chinese medicine compound preparation QIYUANYIDE DRUG INST BEIJING (CN) 2007-04-04 CN disclosed
CN-1939393-A Quality control of Chinese-medicine compound preparation QIYUANYIDE DRUG INST BEIJING (CN) 2007-04-04 CN disclosed
CN-1853674-A Quality Control Method of Xingdan Injection YUNYANXICHUANG DRUG SCIENCE AN (CN) 2006-11-01 CN disclosed